CDD API
v1.0.0https://app.collaborativedrug.com/api/v1Collaborative Drug Discovery provides an API (Application Programming Interface) that can be used for secure programmatic access to your vault data. Using the API, client applications such as Microsoft Office, Pipeline Pilot, Knime and others can be configured to directly access and process chemical and biological data from CDD Vault.
Download the full specification: OpenAPI YAML · OpenAPI JSON. Import it into Postman, an SDK/client generator, or your IDE.
For LLMs / AI tools: llms.txt (concise index) · llms-full.txt (full documentation text).
Using the API
The API is designed using RESTful principles: objects (resources) are identified by URLs, and actions are specified by HTTP verbs. (If that doesn't mean anything to you, don't worry — it isn't necessary for using the API.) API URLs closely mirror the URLs of the web application.
As in the web application, access to data is scoped by vault, so most API URLs contain a vault identifier. The majority of API calls return a JSON structure as the response body.
Object IDs
Vaults, saved searches, and other objects are identified by an integer ID. When you retrieve a list of objects (vaults, saved searches, projects, etc.) each object has both a name and an ID, and you typically supply the numeric ID in subsequent calls. Some parameters take lists of objects, expressed as a comma-separated list of IDs.
The same IDs appear in the web interface URLs, so you can often copy a number from the browser into an API call:
- Browser:
https://app.collaborativedrug.com/vaults/4657/searches - API:
https://app.collaborativedrug.com/api/v1/vaults/4657/searches
Date and time formats
Any parameter documented as a date accepts ISO 8601 date/time values. You
may provide a plain date, like created_after=2020-05-20. You may also
provide a date plus a timestamp, like created_after=2020-05-20 14:53:12,
which is interpreted in the time zone configured on your user account. The
timestamp may also include an explicit UTC (Coordinated Universal Time)
offset, like created_after=2020-05-27T14:48:40-07:00, which indicates
that the time specified is 7 hours behind UTC.
Except for Inventory Samples, timestamps are stored with one-second precision, so any fractional seconds you supply are ignored when filtering. Inventory Sample timestamps are stored and filtered with microsecond precision.
Authentication & security
Every request must include your API key in the X-CDD-Token header, and all
requests must be made over HTTPS so the token and data are encrypted in
transit.
Access is controlled at several levels:
- Token — tokens are issued per user/account and carry a role (set of capabilities); the effective capabilities depend on the token owner's role in the vault(s) being accessed. See the support site for how to obtain a token.
- Vault — even with a valid token, data is only available from vaults that have API access enabled. A vault administrator can request this by emailing CDD Support.
- Project — a user can only access data in projects they have permission for. The projects a user can access in a vault can be listed via the API.
POST /query endpoints
Most list and read endpoints accept their parameters either as URL query
parameters on the GET request, or as a JSON body on a companion POST
request at the same path with /query appended (for example
POST /molecules/query instead of GET /molecules). The /query form
exists because many HTTP client libraries cannot send a body with a GET
request, and because long or complex filters are easier to express as JSON.
The two forms accept the same parameters and return the same responses; the
POST /query form is recommended for anything beyond a trivial request.
Pagination
List endpoints are paginated. Use page_size to set the number of records
per page (default 50, maximum 1000 for synchronous requests) and offset to
skip records. Paginated responses include the total count alongside the
returned objects. To page through a large result set, increase offset by
page_size until you have retrieved count records.
Asynchronous requests (async=true)
For large result sets, pass async=true to a query endpoint. Instead of
returning the data inline, the request creates an export and returns its
details (including an export id). Asynchronous exports allow a larger
page_size (up to 10000). Poll GET /export_progress/{export_id} until the
export reports that it is finished, then download the result from
GET /exports/{export_id}. GET /exports lists all of your in-progress
exports (including those started from the web application).
Rate limits and throttling
CDD Vault does not limit the total number of API requests you can make, but it does throttle usage in two ways. Please optimize your integrations to use the API efficiently, and contact CDD Support if any limit poses a problem.
- 3 concurrent requests. Each user may have up to 3 requests in flight at once, so an integration can use up to 3 threads/processes that each issue a new request as soon as the previous one completes. This limit is per user, not per API key — important if you run multiple integrations.
- 30 queued exports. Every request that uses
async=true(and every saved-search download) launches a background export. Up to 3 run at a time and the rest queue, up to a maximum of 30 queued exports.
Use of the API is monitored; abuse may result in suspension of access and further investigation.
Authentication
ApiKeyAuthapiKeyAPI Key: X-CDD-Token in header
API Executions
Track asynchronous API request executions
API usage in seconds
Return the API usage (both async and sync) in seconds between a particular timeframe. Use after and before parameters to specify a date range. By default and if before is used with no after, the previous 30 days are returned. The time returned is for the current API key only.
Parameters
vault_idintegerrequiredpathafterstring<date-time>queryStart of the date range (YYYY-MM-DDThh:mm:ss±hh:mm). Defaults to 30 days before before when omitted.
beforestring<date-time>queryEnd of the date range (YYYY-MM-DDThh:mm:ss±hh:mm). Defaults to the current date and time when omitted.
Response
API usage data
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/api_executions' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/api_executions',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/api_executions', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"My API key": {
"after": "2023-01-01T07:00:00.000Z",
"before": "2023-01-22T08:12:34.000Z",
"seconds": 20.3
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Batch Move Jobs
Asynchronous batch move jobs
Get all batch move jobs
Get all batch move jobs. Requires the user to be a vault administrator.
Parameters
vault_idintegerrequiredpathResponse
List of all batch move jobs
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"batch": 0,
"class": "batch move job",
"created_at": "2024-01-15T09:30:00Z",
"fail_on_molecule_deletion": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"molecule": 0,
"name": "string",
"queued_job_position": 0,
"requested_by": 0,
"status": "requested",
"status_message": "string"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Create a new batch move job
Create a batch move job to move a batch to a different molecule in the same vault. Requires the user to be a vault administrator.
Body
Parameters for creating a batch move job, which moves a batch to a different molecule in the same vault.
batchintegerrequiredThe ID of the batch to move.
fail_on_molecule_deletionbooleantrueFail the job if moving the batch would trigger removal of the originating molecule. Defaults to true.
moleculeintegerrequiredThe ID of the molecule to move the batch to.
namestringA new name for the batch. Optional, and only allowed for vaults without a registration system.
Parameters
vault_idintegerrequiredpathResponse
Batch move job created
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"batch": 618771089,
"molecule": 1,
"fail_on_molecule_deletion": true
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"batch": 618771089,
"molecule": 1,
"fail_on_molecule_deletion": true
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"batch": 618771089,
"molecule": 1,
"fail_on_molecule_deletion": true
}),
});
const data = await response.json();{
"batch": 618771089,
"molecule": 1,
"fail_on_molecule_deletion": true
}{
"batch": 0,
"class": "batch move job",
"created_at": "2024-01-15T09:30:00Z",
"fail_on_molecule_deletion": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"molecule": 0,
"name": "string",
"queued_job_position": 0,
"requested_by": 0,
"status": "requested",
"status_message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Retrieve a single batch move job
Retrieve a single batch move job. Requires the user to be a vault administrator.
Parameters
vault_idintegerrequiredpathjob_idintegerrequiredpathResponse
Batch move job details
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"batch": 0,
"class": "batch move job",
"created_at": "2024-01-15T09:30:00Z",
"fail_on_molecule_deletion": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"molecule": 0,
"name": "string",
"queued_job_position": 0,
"requested_by": 0,
"status": "requested",
"status_message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Cancel a single batch move job
Cancel a single batch move job. Once a job has started it can no longer be canceled. Requires the user to be a vault administrator.
Parameters
vault_idintegerrequiredpathjob_idintegerrequiredpathResponse
Batch move job canceled
Missing or invalid API key
The job is no longer in a cancelable state (it has already started or finished). The current job is returned unchanged.
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batch_move_jobs/{job_id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"batch": 0,
"class": "batch move job",
"created_at": "2024-01-15T09:30:00Z",
"fail_on_molecule_deletion": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"molecule": 0,
"name": "string",
"queued_job_position": 0,
"requested_by": 0,
"status": "requested",
"status_message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"batch": 0,
"class": "batch move job",
"created_at": "2024-01-15T09:30:00Z",
"fail_on_molecule_deletion": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"molecule": 0,
"name": "string",
"queued_job_position": 0,
"requested_by": 0,
"status": "requested",
"status_message": "string"
}Batches
Batches handling
Create a batch
The body of the POST must contain a JSON structure specifying the molecule attributes. The structure is roughly the same format as what is returned by a GET call but with some restrictions and additions. Note that in a registration vault, POST batch is the only way to create a new molecule, since the registration of a new molecule must be accompanied by a first batch. In this case, the JSON describing the batch will include a "molecule" field with detailed information on the new molecule.
Body
batch_fieldsobjectOnly in registration vaults
Each vault has its own settings on the minimum information required to create a new Batch (for a Vault Administrator, see Settings > Vault > Batch Fields, to change which Batch fields are required).
{
moleculeobject | object | objectnamestringprojectsArray<integer | string>An array of project ids or names
salt_namestringA two-letter code or Salt vendor string as listed in the All Available Salts table (https://app.collaborativedrug.com/support/salts). The salt is determined automatically when the salt is included in the molecular structure.
solvent_of_crystallization_namestringName of the solvent of crystallization. List available at https://support.collaborativedrug.com/hc/en-us/articles/214359563-Salts-and-solvent-of-crystallization#solvents_of_crystallization
stoichiometryobjectOnly in registration vaults
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}),
});
const data = await response.json();{
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15",
"molecule": {
"class": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "string",
"synonyms": [
"string"
]
},
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get multiple batches
Get the information from multiple batches. We still support the now deprecated GET queries on the enpoint without 'query' in it and passing query parameters in the URL. It is highly recommended that you switch your applications to the POST queries described here.
Body
asyncbooleanIf true, do an asynchronous export. Use for large data sets.
batch_fieldsArray<string>Array of Batch field names to include in the resulting JSON. Defaults to all available fields.
created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
collection_criteriaArray<object>Array of collection criteria objects. Filters results to only include batches whose molecules match the collection criteria, with support for AND/OR/XOR junctions and exclusion (NOT IN) logic.
created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
data_setsArray<integer>Array of public dataset ids. Defaults to all data sets.
fields_searchArray<object | object | object>Array of Batch field names & values. Used to filter Batches returned based on query values
include_original_structuresbooleanfalseIf true, include the original structure in the response. This is independent of no_structures.
modified_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
molecule_batch_identifierstringA Molecule-Batch ID used to query the Vault. Use this parameter to limit the number of Molecule UDF Fields to return
molecule_created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
molecule_created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
molecule_fieldsArray<string>Array of Molecule field names to include in the resulting JSON. Defaults to all available fields.
no_structuresbooleanfalseIf true, omit structure representations for a smaller and faster response.
offsetintegeronly_idsbooleanfalseIf true, only return the ids of the molecules in the batch.
only_molecule_idsbooleanfalseIf true, the full Batch details are still returned but the Molecule-level information is left out of the JSON results. (Only the IDs of the Molecules are still included.)
owner_idbooleanfalseIf true, additionally return the owner of each batch as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting this property, or passing false, returns exactly the default response with no owner_id key. Also applied to each batch's nested molecule.
page_sizeinteger50Requested page size (maximum value 1000).
projectsArray<integer>Array of project ids. Defaults to all available projects.
protocol_criteriaArray<object>Array of protocol-based filters restricting results to batches with (or without) matching protocol readout data. Criteria are combined using each entry's junction.
structure_criterionobjectA structure-property filter object. Each property is filtered by an optional _minimum and/or _maximum bound. Properties from different registration types (chemical, nucleotide, amino acid) cannot be mixed in one request. Only a representative subset of the available properties is listed below; all follow the same <property>_minimum / <property>_maximum convention.
batchesArray<integer>Comma separated list of batch ids. Cannot be used with other parameters
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/query' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"async": true,
"batch_fields": [
"string"
],
"created_after": "string",
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"modified_after": "string",
"modified_before": "string",
"molecule_batch_identifier": "string",
"molecule_created_after": "string",
"molecule_created_before": "string",
"molecule_fields": [
"string"
],
"no_structures": false,
"offset": 0,
"only_ids": false,
"only_molecule_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
}
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/query',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"async": true,
"batch_fields": [
"string"
],
"created_after": "string",
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"modified_after": "string",
"modified_before": "string",
"molecule_batch_identifier": "string",
"molecule_created_after": "string",
"molecule_created_before": "string",
"molecule_fields": [
"string"
],
"no_structures": false,
"offset": 0,
"only_ids": false,
"only_molecule_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/query', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"async": true,
"batch_fields": [
"string"
],
"created_after": "string",
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"modified_after": "string",
"modified_before": "string",
"molecule_batch_identifier": "string",
"molecule_created_after": "string",
"molecule_created_before": "string",
"molecule_fields": [
"string"
],
"no_structures": false,
"offset": 0,
"only_ids": false,
"only_molecule_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
}
}),
});
const data = await response.json();{
"async": true,
"batch_fields": [
"string"
],
"created_after": "2024-01-15",
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_before": "2024-01-15",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"modified_after": "2024-01-15",
"modified_before": "2024-01-15",
"molecule_batch_identifier": "string",
"molecule_created_after": "2024-01-15",
"molecule_created_before": "2024-01-15",
"molecule_fields": [
"string"
],
"no_structures": false,
"offset": 0,
"only_ids": false,
"only_molecule_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "2024-01-15",
"run_before": "2024-01-15",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
}
}[
{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15",
"molecule": {
"class": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "string",
"synonyms": [
"string"
]
},
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Get a single batch
Get the information about a single batch
Parameters
vault_idintegerrequiredpathbatch_idintegerrequiredpathdata_setsstringqueryComma-separated public dataset ids. Defaults to all data sets.
include_original_structuresbooleanqueryIf true, include the original structure in the response. This is independent of no_structures.
no_structuresbooleanqueryIf true, omit structure representations for a smaller and faster response.
only_molecule_idsbooleanqueryIf true, the full Batch details are still returned but the Molecule-level information is left out of the JSON results. (Only the IDs of the Molecules are still included.)
owner_idbooleanqueryIf true, additionally return the owner as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting the parameter, or passing false, returns exactly the default response with no owner_id key. Also applied to the batch's nested molecule.
projectsstringqueryComma-separated project ids. Defaults to all available projects.
Response
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15",
"molecule": {
"class": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "string",
"synonyms": [
"string"
]
},
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Update a batch
See Create for valid fields. (An exception to this is the Molecule field - this PUT Batches call should not be used to update the chemical structure of the parent Molecule - use the PUT Molecules API call to achieve this.) Fields not specified in the JSON are not changed.
To delete a Batch, simply submit with an empty projects array. (For safety/security purposes, Batches which have data associated with them cannot be deleted via this PUT Batches API call. Data (such as rows of readout data in a Protocol Run) must be removed prior to using the PUT Batches API call to delete a Batch.)
Note that the ID for the batch is specified as part of the URL, not in the JSON (the JSON can contain an ID field as long as its value matches the URL).
Body
batch_fieldsobjectOnly in registration vaults
Each vault has its own settings on the minimum information required to create a new Batch (for a Vault Administrator, see Settings > Vault > Batch Fields, to change which Batch fields are required).
{
moleculeobject | object | objectnamestringprojectsArray<integer | string>An array of project ids or names
salt_namestringA two-letter code or Salt vendor string as listed in the All Available Salts table (https://app.collaborativedrug.com/support/salts). The salt is determined automatically when the salt is included in the molecular structure.
solvent_of_crystallization_namestringName of the solvent of crystallization. List available at https://support.collaborativedrug.com/hc/en-us/articles/214359563-Salts-and-solvent-of-crystallization#solvents_of_crystallization
stoichiometryobjectOnly in registration vaults
Parameters
vault_idintegerrequiredpathbatch_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}),
});
const data = await response.json();{
"batch_fields": {},
"molecule": {
"cxsmiles": "string",
"duplicate_resolution": "first",
"id": 0,
"name": "string",
"registration_type": "CHEMICAL_STRUCTURE",
"smiles": "string",
"structure": "string"
},
"name": "Batch 1",
"projects": [
0
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15",
"molecule": {
"class": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "string",
"synonyms": [
"string"
]
},
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Collections
Collections of molecules
Create a collection
Create a collection, the name should be unique unless you want to overwrite an existing collection.
Body
classstringuser collectioncreated_atstring<date>modified_atstring<date>moleculesArray<integer>The list of molecules in the collection.
namestringownerstringParameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"class": "user collection",
"created_at": "string",
"modified_at": "string",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"class": "user collection",
"created_at": "string",
"modified_at": "string",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"class": "user collection",
"created_at": "string",
"modified_at": "string",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}),
});
const data = await response.json();{
"class": "user collection",
"created_at": "2024-01-15",
"modified_at": "2024-01-15",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}{
"id": 42,
"class": "user collection",
"created_at": "2024-01-15",
"modified_at": "2024-01-15",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get multiple collections
Get the information from multiple collections. We still support the now deprecated GET queries on the enpoint without 'query' in it and passing query parameters in the URL. It is highly recommended that you switch your applications to the POST queries described here.
Body
collectionsArray<integer>The list of collections id to return
asyncbooleanIf true, do an asynchronous export. Use for large data sets. You will get an export id that you can use with the async export function.
include_molecule_idsbooleanIf true, include the ids of the molecules in the collection.
offsetintegerThe offset of the first collection in the result set. The offset is 0-based. That is, the first collection in the result set has offset 0.
only_idsbooleanIf true, only return the ids of the matching collections.
page_sizeinteger50The maximum number of objects to return in this call. Default is 50, maximum is 1000. If the response exceeds the page_size, we strongly recommend using the async option instead of downloading multiple chunks. Note: any page_size parameter used in an API call that also uses the async=true parameter will be ignored. The async call will return all valid data once executed.
projectsArray<integer>Array of project ids. Defaults to all available projects.
asyncbooleanIf true, do an asynchronous export. Use for large data sets. You will get an export id that you can use with the async export function.
include_molecule_idsbooleanIf true, include the ids of the molecules in the collection.
offsetintegerThe offset of the first collection in the result set. The offset is 0-based. That is, the first collection in the result set has offset 0.
only_idsbooleanIf true, only return the ids of the matching collections.
page_sizeinteger50The maximum number of objects to return in this call. Default is 50, maximum is 1000. If the response exceeds the page_size, we strongly recommend using the async option instead of downloading multiple chunks. Note: any page_size parameter used in an API call that also uses the async=true parameter will be ignored. The async call will return all valid data once executed.
projectsArray<integer>Array of project ids. Defaults to all available projects.
created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
typestringuser_collectionvault_collectionThe type of collection user collections are private, vault collections are shared with project members.
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/query' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"collections": [
0
],
"async": true,
"include_molecule_ids": true,
"offset": 0,
"only_ids": true,
"page_size": 50,
"projects": [
0
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/query',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"collections": [
0
],
"async": true,
"include_molecule_ids": true,
"offset": 0,
"only_ids": true,
"page_size": 50,
"projects": [
0
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/query', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"collections": [
0
],
"async": true,
"include_molecule_ids": true,
"offset": 0,
"only_ids": true,
"page_size": 50,
"projects": [
0
]
}),
});
const data = await response.json();{
"collections": [
0
],
"async": true,
"include_molecule_ids": true,
"offset": 0,
"only_ids": true,
"page_size": 50,
"projects": [
0
]
}[
{
"id": 42,
"class": "user collection",
"created_at": "2024-01-15",
"modified_at": "2024-01-15",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Get a single collection
Get the information about a single collection
Parameters
vault_idintegerrequiredpathcollection_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"id": 42,
"class": "user collection",
"created_at": "2024-01-15",
"modified_at": "2024-01-15",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Update a collection
Body
moleculesArray<integer>The list of molecules to add to the collection. Note that you cannot remove molecules from a collection. You have to recreate the collection without the molecule.
Parameters
vault_idintegerrequiredpathcollection_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"molecules": [
0
]
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"molecules": [
0
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"molecules": [
0
]
}),
});
const data = await response.json();{
"molecules": [
0
]
}{
"id": 42,
"class": "user collection",
"created_at": "2024-01-15",
"modified_at": "2024-01-15",
"molecules": [
0
],
"name": "Rare compounds",
"owner": "Jacob Bloom"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Delete a collection
Delete a collection. The molecules in the collection are not affected.
Parameters
vault_idintegerrequiredpathcollection_idintegerrequiredpathNumeric identifier of the collection
Response
The collection was deleted
Missing or invalid API key
Collection not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/collections/{collection_id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Control Layouts
Control well layouts for protocols and runs
Get control layouts
List the control layouts in the vault. Supports pagination via page_size and offset, and the usual created_after/modified_after filters.
Parameters
vault_idintegerrequiredpathpage_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
asyncbooleanqueryIf true, run the listing as an asynchronous export.
only_idsbooleanqueryIf true, return only the ids of the matching control layouts.
projectsstringqueryComma-separated project ids to filter by.
created_afterstring<date-time>queryOnly include layouts created on or after this time.
created_beforestring<date-time>queryOnly include layouts created on or before this time.
modified_afterstring<date-time>queryOnly include layouts modified on or after this time.
modified_beforestring<date-time>queryOnly include layouts modified on or before this time.
Response
A page of control layouts
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"class": "control layout",
"control_wells": [
{
"col": 0,
"control_state": "+",
"row": 0
}
],
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"plate_id": 0,
"protocol": 0,
"run": 0,
"size": 0
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Create a control layout
Create a control layout for a protocol or run. The layout dimensions are set with either size or plate, and the target with either protocol or run.
Body
Attributes for creating a control layout. Specify the target with exactly one of protocol or run, and the layout dimensions with exactly one of size or plate.
Parameters
vault_idintegerrequiredpathResponse
The created control layout
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"protocol": 321,
"size": 96,
"control_wells": [
{
"row": 0,
"col": 0,
"control_state": "+"
},
{
"pos": "H12",
"control_state": "-"
}
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"protocol": 321,
"size": 96,
"control_wells": [
{
"row": 0,
"col": 0,
"control_state": "+"
},
{
"pos": "H12",
"control_state": "-"
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"protocol": 321,
"size": 96,
"control_wells": [
{
"row": 0,
"col": 0,
"control_state": "+"
},
{
"pos": "H12",
"control_state": "-"
}
]
}),
});
const data = await response.json();{
"protocol": 321,
"size": 96,
"control_wells": [
{
"row": 0,
"col": 0,
"control_state": "+"
},
{
"pos": "H12",
"control_state": "-"
}
]
}{
"class": "control layout",
"control_wells": [
{
"col": 0,
"control_state": "+",
"row": 0
}
],
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"plate_id": 0,
"protocol": 0,
"run": 0,
"size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a control layout
Retrieve a single control layout.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the control layout
Response
The control layout
Missing or invalid API key
Control layout not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"class": "control layout",
"control_wells": [
{
"col": 0,
"control_state": "+",
"row": 0
}
],
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"plate_id": 0,
"protocol": 0,
"run": 0,
"size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Delete a control layout
Delete a control layout.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the control layout
Response
The control layout was deleted
Missing or invalid API key
Control layout not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/control_layouts/{id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Datasets
Public and vault datasets
Get dataset
List datasets
Parameters
vault_idintegerrequiredpathResponse
Success
Unauthorized or not found
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/data_sets' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/data_sets',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/data_sets', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"id": 0,
"name": "string"
}
]Deep Learning Bioisosteres
Deep learning bioisostere suggestions
Find bioisosteric replacements (hierarchical)
Submit a chemical structure and receive bioisosteric replacement suggestions grouped by fragment. Requires the vault to have Deep Learning enabled.
Body
structurestringrequiredSMILES or MOL representation of structure to find bioisosteric replacements for.
number_suggestionsintegerNumber of bioisosteric suggestions per fragment. Defaults to 5, max 200.
return_known_identifiersbooleanInclude known identifiers (InChIKey, etc.) in response. Defaults to false.
lookup_internal_identifiersbooleanOpt in to server-side enrichment with internal vault identifiers. When true, each bioisostere's InChIKey is used to find molecules in the Vault. The 14-character prefix of the InChIKey is used to catch stereochemical variants. The internal identifiers are appended to the identifiers array as an Internal collection. Defaults to false.
filter_structure_alertsbooleanFilter out suggestions with additional structural alerts. Defaults to true.
filter_by_atom_indicesArray<integer>List of atom indices identifying which fragments to include in fragmentation. Each suggestion fragment whose atom_indices overlaps this list is kept. If omitted, all fragments are used.
Parameters
vault_idintegerrequiredpathID of the current vault.
X-CDD-TokenstringrequiredheaderAPI key token for authentication.
Response
Success — returns bioisosteric suggestions grouped by fragment.
Bad request — missing or invalid parameters.
Unauthorized — Deep Learning not enabled for this vault or user lacks access.
curl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres' \
-H 'Content-Type: application/json' \
-d '{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres',
json={
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres', {
method: 'POST',
headers: {
'Content-Type': 'application/json',
},
body: JSON.stringify({
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}),
});
const data = await response.json();{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}{
"status": "OK",
"mocked_service": true,
"result": {
"query": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"suggestions": [
{
"fragment": "[16*]c1ccc(Cl)cc1Cl",
"size": 8,
"atom_indices": [
0,
1
],
"bioisosteres": [
{
"fragment": "[16*]c1ccc(F)cc1Cl",
"inchikey": "QCNPSEBNVBYHLY-UHFFFAOYSA-N",
"structure": "c1ccncc1",
"tanimoto": 0.875,
"atom_indices": [
0,
1
],
"synthetic_feasibility": {
"synthetic_feasibility_score": 0.9,
"profile_overlap": 0.8,
"bits_missing": 0.1,
"fraction_missing": 0.2
},
"alerts": [
{
"filter_set": "Brenk",
"description": "aniline"
}
],
"identifiers": [
{
"name": "SCHEMBL11832241",
"collection": "SureChEMBL",
"patent": {
"count": 1,
"first_date": "1976-01-20T00:00:00.000Z",
"first_patent": "US-3933824-A"
},
"cdd_public": {
"molecule_id": 123456
},
"cdd_private": {
"id": 123456,
"standard_inchi_key": "QCNPSEBNVBYHLY-UHFFFAOYSA-N",
"exact": true
}
}
]
}
]
}
]
}
}{
"error": "structure parameter is required",
"code": 400
}{
"error": "Dl bioisosteres endpoint only accessible in vaults with Deep Learning enabled",
"code": 401
}Find bioisosteric replacements (flat list)
Submit a chemical structure and receive bioisosteric replacement suggestions as a flat list. Requires the vault to have Deep Learning enabled.
Body
structurestringrequiredSMILES or MOL representation of structure to find bioisosteric replacements for.
number_suggestionsintegerNumber of bioisosteric suggestions per fragment. Defaults to 5, max 200.
return_known_identifiersbooleanInclude known identifiers (InChIKey, etc.) in response. Defaults to false.
lookup_internal_identifiersbooleanOpt in to server-side enrichment with internal vault identifiers. When true, each bioisostere's InChIKey is used to find molecules in the Vault. The 14-character prefix of the InChIKey is used to catch stereochemical variants. The internal identifiers are appended to the identifiers array as an Internal collection. Defaults to false.
filter_structure_alertsbooleanFilter out suggestions with additional structural alerts. Defaults to true.
filter_by_atom_indicesArray<integer>List of atom indices identifying which fragments to include in fragmentation. Each suggestion fragment whose atom_indices overlaps this list is kept. If omitted, all fragments are used.
Parameters
vault_idintegerrequiredpathID of the current vault.
X-CDD-TokenstringrequiredheaderAPI key token for authentication.
Response
Success — returns bioisosteric suggestions as a flat list.
Bad request — missing or invalid parameters.
Unauthorized — Deep Learning not enabled for this vault or user lacks access.
curl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/flat' \
-H 'Content-Type: application/json' \
-d '{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/flat',
json={
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/flat', {
method: 'POST',
headers: {
'Content-Type': 'application/json',
},
body: JSON.stringify({
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}),
});
const data = await response.json();{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"number_suggestions": 5,
"return_known_identifiers": false,
"lookup_internal_identifiers": false,
"filter_structure_alerts": true,
"filter_by_atom_indices": [
0,
1
]
}{
"query": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"suggestions": [
{
"structure": "Fc1ccc(-c2n[nH]c3c2CCNCC3)cc1F",
"fragment": "[16*]c1ccc(Cl)cc1Cl",
"replacement_fragment": "[16*]c1ccc(F)cc1F",
"tanimoto": 0.875,
"synthetic_feasibility_score": 0.9,
"identifiers": "SCHEMBL11832241, CHEMBL12345678",
"alerts": "acid_halide,carbonyl_halide"
}
]
}{
"error": "structure parameter is required",
"code": 400
}{
"error": "Dl bioisosteres endpoint only accessible in vaults with Deep Learning enabled",
"code": 401
}Fragment a chemical structure
Submit a chemical structure and receive its fragmentation without bioisosteric suggestions. Requires the vault to have Deep Learning enabled.
Body
structurestringrequiredSMILES or MOL representation of structure to fragment.
Parameters
vault_idintegerrequiredpathID of the current vault.
X-CDD-TokenstringrequiredheaderAPI key token for authentication.
Response
Success — returns the fragmentation of the structure.
Bad request — missing or invalid parameters.
Unauthorized — Deep Learning not enabled for this vault or user lacks access.
curl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/get_fragmentation' \
-H 'Content-Type: application/json' \
-d '{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/get_fragmentation',
json={
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/bioisosteres/get_fragmentation', {
method: 'POST',
headers: {
'Content-Type': 'application/json',
},
body: JSON.stringify({
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
}),
});
const data = await response.json();{
"structure": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1"
}{
"status": "OK",
"mocked_service": true,
"result": {
"query": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1",
"suggestions": [
{
"fragment": "[16*]c1ccc(Cl)cc1Cl",
"size": 8,
"atom_indices": [
0,
1
]
}
]
}
}{
"error": "structure parameter is required",
"code": 400
}{
"error": "Dl bioisosteres endpoint only accessible in vaults with Deep Learning enabled",
"code": 401
}Deep Learning Similarity
Deep learning molecular similarity
Find similar structures using Deep Learning
Submit a chemical structure and receive a ranked list of similar structures using the Deep Learning similarity model. Requires the vault to have Deep Learning enabled.
Body
structurestringrequiredSMILES or MOL representation to find similar structures for.
countintegerNumber of similar structures to return. Defaults to 10, max 300.
collectionsArray<string>List of collection identifiers to filter results by. If omitted, all collections are included.
return_patentsbooleanWhether to include patent information for compounds in results. Defaults to true.
lookup_internal_identifiersbooleanOpt in to server-side enrichment with internal vault identifiers. When true, each hit's InChIKey is used to find molecules in the Vault. The 14-character prefix of the InChIKey is used to catch stereochemical variants. The internal identifiers are appended to the identifiers array as an Internal collection. Defaults to false.
Parameters
vault_idintegerrequiredpathID of the current vault.
X-CDD-TokenstringrequiredheaderAPI key token for authentication.
Response
Success — returns similar structures ranked by Tanimoto similarity.
Bad request — missing or invalid parameters.
Unauthorized — Deep Learning not enabled for this vault or user lacks access.
curl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/similarity' \
-H 'Content-Type: application/json' \
-d '{
"structure": "c1ccccc1",
"count": 10,
"collections": [
"SureChEMBL",
"ChEMBL"
],
"return_patents": true,
"lookup_internal_identifiers": false
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/similarity',
json={
"structure": "c1ccccc1",
"count": 10,
"collections": [
"SureChEMBL",
"ChEMBL"
],
"return_patents": true,
"lookup_internal_identifiers": false
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/ai/similarity', {
method: 'POST',
headers: {
'Content-Type': 'application/json',
},
body: JSON.stringify({
"structure": "c1ccccc1",
"count": 10,
"collections": [
"SureChEMBL",
"ChEMBL"
],
"return_patents": true,
"lookup_internal_identifiers": false
}),
});
const data = await response.json();{
"structure": "c1ccccc1",
"count": 10,
"collections": [
"SureChEMBL",
"ChEMBL"
],
"return_patents": true,
"lookup_internal_identifiers": false
}{
"status": "OK",
"mocked_service": true,
"result": {
"query": "Nc1ccccc1CCCC",
"query_scaffold": "c1ccccc1",
"hits": [
{
"structure": "Cc1ccncc1",
"inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
"identifiers": [
{
"name": "SCHEMBL11832241",
"collection": "SureChEMBL",
"patent": {
"count": 1,
"first_date": "1976-01-20T00:00:00.000Z",
"first_patent": "US-3933824-A"
},
"cdd_public": {
"molecule_id": 123456
},
"cdd_private": {
"id": 123456,
"standard_inchi_key": "QCNPSEBNVBYHLY-UHFFFAOYSA-N",
"exact": true
}
}
],
"names": [
"Compound A",
"CDD-123456"
],
"scaffold": "c1ccncc1",
"similarity": 0.851,
"tanimoto": 0.123,
"distance": 10.15
}
],
"metadata": [
{
"collection": "CDD Public",
"search_engine": "faiss",
"metric": "Metric.L2",
"count": 123456,
"release": "2024-06"
}
]
}
}{
"error": "structure parameter is required",
"code": 400
}{
"error": "Dl similarity endpoint only accessible in vaults with Deep Learning enabled",
"code": 401
}Dose Response Calculations
Protocol dose response calculations management
List dose response calculations for a protocol
Get all dose response calculations for a protocol.
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathResponse
Success
Missing or invalid API key
Protocol not found
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"objects": [
{
"id": 12345,
"class": "dose response calculation",
"inputs": {},
"outputs": {},
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"minimum_activity": {
"lower": 10,
"upper": 90
}
}
],
"count": 5
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a single dose response calculation
Get the details of a single dose response calculation
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathdose_response_calculation_idintegerrequiredpathResponse
Success
Missing or invalid API key
Protocol or dose response calculation not found
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"id": 12345,
"class": "dose response calculation",
"inputs": {},
"outputs": {},
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"minimum_activity": {
"lower": 10,
"upper": 90
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a dose response calculation
Update a dose response calculation's fit parameters and/or minimum activity bounds.
To set a fixed constraint, use modifier "=" with a value. To set a range constraint, use modifier "from" with a range object containing min and max. To set a comparison constraint, use modifier ">", ">=", "<", or "<=" with a value. To clear all fit parameter constraints, pass an empty fit_parameters object.
Body
Request body for updating a dose response calculation
fit_parametersobjectFit parameter constraints for the calculation. Setting this to an empty object clears all constraints. The available parameters depend on the calculation's equation_type:
- Hill: min, max, slope
- Biphasic: center1, center2, frac, plateau1, plateau2, slope1, slope2
- Bell Curve: plateau1, center1, slope1, peak, center2, slope2, plateau2
- Linear: slope, y_intercept
- Exponential Decay: c_0, c_min, k
- Michaelis-Menten: b_max, k_d
minimum_activityobjectMinimum activity (inactivity) bounds
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathdose_response_calculation_idintegerrequiredpathResponse
Success
Missing or invalid API key or insufficient permissions
Protocol or dose response calculation not found
Validation error. Possible causes include: unknown fit parameter, invalid modifier, range where lower > upper, non-numeric value, or unrecognized parameters.
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"fit_parameters": {},
"minimum_activity": {
"lower": 10,
"upper": 90,
"modifier": "from"
}
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"fit_parameters": {},
"minimum_activity": {
"lower": 10,
"upper": 90,
"modifier": "from"
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"fit_parameters": {},
"minimum_activity": {
"lower": 10,
"upper": 90,
"modifier": "from"
}
}),
});
const data = await response.json();{
"fit_parameters": {},
"minimum_activity": {
"lower": 10,
"upper": 90,
"modifier": "from"
}
}{
"id": 12345,
"class": "dose response calculation",
"inputs": {},
"outputs": {},
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"minimum_activity": {
"lower": 10,
"upper": 90
}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Dose Response Data Series
Dose response data series management
List dose response data series for a dose response calculation
Get all dose response data series for a dose response calculation. Each data series represents the curve data for a specific batch/run combination.
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathdose_response_calculation_idintegerrequiredpathResponse
Success
Missing or invalid API key
Protocol or dose response calculation not found
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"objects": [
{
"id": 67890,
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"updated_at": "2026-01-30T14:42:24.000Z"
}
],
"count": 10
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a single dose response data series
Get the details of a single dose response data series
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathdose_response_calculation_idintegerrequiredpathdose_response_data_series_idintegerrequiredpathResponse
Success
Missing or invalid API key
Protocol, dose response calculation, or dose response data series not found
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"id": 67890,
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"updated_at": "2026-01-30T14:42:24.000Z"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a dose response data series
Update a dose response data series's fit parameters. These constraints override the calculation-level constraints for this specific curve.
To set a fixed constraint, use modifier "=" with a value. To set a range constraint, use modifier "from" with a range object containing min and max. To set a comparison constraint, use modifier ">", ">=", "<", or "<=" with a value. To set unconstrained (best fit), use modifier "best fit" (data series only).
Body
Request body for updating a data series
fit_parametersobjectFit parameter constraints for this data series. These override the calculation-level constraints for this specific curve. The available parameters depend on the calculation's equation_type:
- Hill: min, max, slope
- Biphasic: center1, center2, frac, plateau1, plateau2, slope1, slope2
- Bell Curve: plateau1, center1, slope1, peak, center2, slope2, plateau2
- Linear: slope, y_intercept
- Exponential Decay: c_0, c_min, k
- Michaelis-Menten: b_max, k_d Data series support "best fit" modifier for unconstrained fitting.
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathdose_response_calculation_idintegerrequiredpathdose_response_data_series_idintegerrequiredpathResponse
Success
Missing or invalid API key or insufficient permissions
Protocol, dose response calculation, or dose response data series not found
Validation error. Possible causes include: unknown fit parameter, invalid modifier, range where lower > upper, or non-numeric value.
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"fit_parameters": {}
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"fit_parameters": {}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/dose_response_calculations/{dose_response_calculation_id}/dose_response_data_series/{dose_response_data_series_id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"fit_parameters": {}
}),
});
const data = await response.json();{
"fit_parameters": {}
}{
"id": 67890,
"fit_parameters": {
"min": {
"modifier": "=",
"value": 0
},
"max": {
"modifier": ">=",
"value": 100
}
},
"updated_at": "2026-01-30T14:42:24.000Z"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}ELN Entries
Electronic lab notebook entries
Create an ELN entry
The body of the POST must contain a JSON structure specifying the desired ELN entry attributes.
Note: Files may be inserted into existing ELN entries using the POST Files API call.
Body
append_to_bodyArray<object | object | object>Ordered list of content nodes appended to the body of the entry. Each node has a type; the supported types are:
text— a paragraph of text. Providetext(defaults to an empty string).link— a hyperlink. Provideurl(required; must be a valid http/https/ftp/mailto URL) and an optionallabelfor the display text. Use this to link to a batch, molecule, protocol, or any external resource.file— an attachment that was already uploaded. Providefile, the id of an accessible uploaded file. (Files can also be attached to an existing entry with thePOST /filesAPI.)
eln_fieldsobjectThe ELN fields of the entry
projectinteger | stringtitlestringThe title of the entry
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}),
});
const data = await response.json();{
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 42,
"status": "new",
"updated_at": "2024-01-02T03:04:05.000Z"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get all or some ELN entries
Returns a summary of all available ELN entries for the Vault specified if async=false (default). If async=true, returns a zip file containing the export of all available ELN entries.
For security purposes, the GET and POST ELN Entries CDD Vault API commands documented here are only available for Vault Administrators.
Body
asyncbooleanfalsePerform an asynchronous export If true, do an asynchronous export (see Async Export) Use if you wish to retrieve a zip file containing exports of the actual ELN entries along with any files attached within the ELN entries. Note: any page_size parameter used in the call call that also uses the async=true parameter will be ignored. The call will return all matching entries as a zip file with their content.
authorArray<string>List of ELN author IDs. We do not match by names, you need to use the users call.
created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
eln_entriesArray<string>List of ELN entry IDs
finalized_date_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
finalized_date_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
offsetinteger0Index of the first object actually returned
only_idsbooleanfalseReturn only ELN Entry IDs
only_summarybooleanfalseReturn only a csv summary file, async is still recommended
page_sizeinteger50Maximum number of objects to return in this call This parameter is ignored is async is true.
projectsArray<string>List of project IDs
statusstringopensubmittedfinalizedStatus of ELN entries (open, submitted, finalized)
submitted_date_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
submitted_date_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/query' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"async": false,
"author": [
"string"
],
"created_after": "string",
"created_before": "string",
"eln_entries": [
"string"
],
"finalized_date_after": "string",
"finalized_date_before": "string",
"modified_after": "string",
"modified_before": "string",
"offset": 0,
"only_ids": false,
"only_summary": false,
"page_size": 50,
"projects": [
"string"
],
"status": "open",
"submitted_date_after": "string",
"submitted_date_before": "string"
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/query',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"async": false,
"author": [
"string"
],
"created_after": "string",
"created_before": "string",
"eln_entries": [
"string"
],
"finalized_date_after": "string",
"finalized_date_before": "string",
"modified_after": "string",
"modified_before": "string",
"offset": 0,
"only_ids": false,
"only_summary": false,
"page_size": 50,
"projects": [
"string"
],
"status": "open",
"submitted_date_after": "string",
"submitted_date_before": "string"
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/query', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"async": false,
"author": [
"string"
],
"created_after": "string",
"created_before": "string",
"eln_entries": [
"string"
],
"finalized_date_after": "string",
"finalized_date_before": "string",
"modified_after": "string",
"modified_before": "string",
"offset": 0,
"only_ids": false,
"only_summary": false,
"page_size": 50,
"projects": [
"string"
],
"status": "open",
"submitted_date_after": "string",
"submitted_date_before": "string"
}),
});
const data = await response.json();{
"async": false,
"author": [
"string"
],
"created_after": "2024-01-15",
"created_before": "2024-01-15",
"eln_entries": [
"string"
],
"finalized_date_after": "2024-01-15",
"finalized_date_before": "2024-01-15",
"modified_after": "2024-01-15",
"modified_before": "2024-01-15",
"offset": 0,
"only_ids": false,
"only_summary": false,
"page_size": 50,
"projects": [
"string"
],
"status": "open",
"submitted_date_after": "2024-01-15",
"submitted_date_before": "2024-01-15"
}[
{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 42,
"status": "new",
"updated_at": "2024-01-02T03:04:05.000Z"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Update an ELN entry
Update an existing ELN entry. Only the attributes supplied in the body are changed. Content supplied in append_to_body (text, links, files) is appended to the existing entry body.
Body
Attributes used to create or update an ELN entry. The same body is accepted by POST /eln/entries (create) and PUT /eln/entries/{id} (update); on update, only the supplied fields are changed.
append_to_bodyArray<object | object | object>Ordered list of content nodes appended to the body of the entry. Each node has a type; the supported types are:
text— a paragraph of text. Providetext(defaults to an empty string).link— a hyperlink. Provideurl(required; must be a valid http/https/ftp/mailto URL) and an optionallabelfor the display text. Use this to link to a batch, molecule, protocol, or any external resource.file— an attachment that was already uploaded. Providefile, the id of an accessible uploaded file. (Files can also be attached to an existing entry with thePOST /filesAPI.)
eln_fieldsobjectThe ELN fields of the entry
projectinteger | stringtitlestringThe title of the entry
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the ELN entry
Response
Success
Missing or invalid API key
ELN entry not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}),
});
const data = await response.json();{
"title": "Synthesis of compound 42",
"project": 7,
"eln_fields": {
"Reaction type": "Suzuki coupling"
},
"append_to_body": [
{
"type": "text",
"text": "Procedure followed the standard protocol."
},
{
"type": "link",
"url": "https://app.collaborativedrug.com/vaults/1/molecules/12345",
"label": "Starting material CDD-12345"
},
{
"type": "file",
"file": 98765
}
]
}{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 42,
"status": "new",
"updated_at": "2024-01-02T03:04:05.000Z"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Perform an ELN entry status action
Perform a witnessing/status action on an ELN entry (submit, approve, reject, cancel, reopen, finalize, or discard). Requires vault administrator access and write permission. The valid actions depend on whether ELN witnessing is enabled for the vault.
Body
A witnessing/status action to perform on an ELN entry. The set of valid status_action values depends on whether ELN witnessing is enabled for the vault:
- Witnessing enabled:
submit(requireswitness),approve,reject(requiresreason),cancel,reopen(requiresreason),discard. - Witnessing disabled:
finalize,reopen(requiresreason),discard.
reasonstringReason for the action (required for reject and reopen).
status_actionstringsubmitapproverejectcancelreopenfinalizediscardrequiredThe action to perform.
witnessintegerId of the witnessing user (required for submit).
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the ELN entry
Response
The updated ELN entry
Invalid or missing status_action
Missing or invalid API key
ELN entry (or witness) not found, or vault is unauthorized
The entry cannot transition from its current status
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}/status' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"status_action": "submit",
"witness": 6021
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}/status',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"status_action": "submit",
"witness": 6021
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/eln/entries/{id}/status', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"status_action": "submit",
"witness": 6021
}),
});
const data = await response.json();{
"status_action": "submit",
"witness": 6021
}{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 42,
"status": "new",
"updated_at": "2024-01-02T03:04:05.000Z"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Exports
Asynchronous data exports
Get progress of an export
Check on the status of your export task. Repeat this call every 5-10 seconds (suggested interval) until the status is “finished”
Parameters
vault_idintegerrequiredpathexport_idintegerrequiredpathResponse
Successful operation
Missing or invalid API key
Couldn't find this export
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/export_progress/{export_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/export_progress/{export_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/export_progress/{export_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"error": "Couldn't find export with 'id'={export_id}"
}Check All Current Exports
Check how many async API export tasks are currently running and see the current status of the user's queue. The endpoint does not accept any normal API parameters and lists all of a user's exports, including any exports initiated via the GUI/front-end. Note: This GET Exports API call will return ALL exports across all Vaults applicable to the API Token specified, regardless of the Vault ID used in the API url.
Parameters
vault_idintegerrequiredpathResponse
List of all active exports
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Get the output of an export
Retrieve the output of an export once it is ready. An export is created whenever a query endpoint is called with async=true (for example POST /molecules/query, POST /batches/query, or an ELN entries query), as well as when running a saved search. This single endpoint returns the finished output for any of them. If the export is not finished it returns 403 together with the export's async progress details; poll GET /export_progress/{export_id} until it is ready. The output format (JSON, CSV, SDF, etc.) depends on the format requested when the export was created.
Depending on server configuration the file may be served directly (200) or via a 302 redirect to a temporary download URL (e.g. S3). Configure your client to follow redirects — with curl, pass -L.
Parameters
vault_idintegerrequiredpathexport_idintegerrequiredpathResponse
Successful operation; the response body is the export file. The format depends on what was requested when the export was created (JSON, CSV, SDF, etc.).
Redirect to a temporary download URL for the file (used when files are served directly from S3). Follow the Location header (curl: -L).
Missing or invalid API key
The export is not ready yet
Couldn't find this export
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}{
"error": "Couldn't find export with 'id'={export_id}"
}Cancel Export
Cancels an export if possible
Parameters
vault_idintegerrequiredpathexport_idintegerrequiredpathResponse
The export was canceled (its status becomes canceled).
Missing or invalid API key
The export was not in a cancelable state (for example it has already finished or was already canceled). The export's current state is returned unchanged.
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/exports/{export_id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}Fields
Vault field definitions
Retrieve all fields
Get all the fields both internal and user defined
Parameters
vault_idintegerrequiredpathResponse
List of all fields
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"batch": [
{
"data_type_name": "string",
"id": 0,
"name": "string",
"overwritable": true,
"required_group_number": 0,
"type": "string",
"unique_value": true
}
],
"internal": [
{
"data_type_name": "string",
"id": 0,
"name": "string",
"overwritable": true,
"required_group_number": 0,
"type": "string",
"unique_value": true
}
],
"molecule": [
{
"data_type_name": "string",
"id": 0,
"name": "string",
"overwritable": true,
"required_group_number": 0,
"type": "string",
"unique_value": true
}
],
"protocol": [
{
"data_type_name": "string",
"id": 0,
"name": "string",
"overwritable": true,
"required_group_number": 0,
"type": "string",
"unique_value": true
}
]
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Get pick list values
List the pick list values for a vault field definition.
Parameters
vault_idintegerrequiredpathfield_idintegerrequiredpathNumeric identifier of the field definition
page_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
Response
A page of pick list values
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"created_at": "2024-01-15T09:30:00Z",
"hidden": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"value": "string"
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Create a pick list value
Create a pick list value on a field definition. Requires vault administrator access.
Body
Attributes for creating or updating a pick list value.
hiddenbooleanfalseWhether the value is hidden from users.
valuestringrequiredParameters
vault_idintegerrequiredpathfield_idintegerrequiredpathNumeric identifier of the field definition
Response
The created pick list value
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"value": "blue",
"hidden": false
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"value": "blue",
"hidden": false
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"value": "blue",
"hidden": false
}),
});
const data = await response.json();{
"value": "blue",
"hidden": false
}{
"created_at": "2024-01-15T09:30:00Z",
"hidden": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"value": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a pick list value
Retrieve a single pick list value.
Parameters
vault_idintegerrequiredpathfield_idintegerrequiredpathNumeric identifier of the field definition
idintegerrequiredpathNumeric identifier of the pick list value
Response
The pick list value
Missing or invalid API key
Pick list value not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2024-01-15T09:30:00Z",
"hidden": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"value": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a pick list value
Update a pick list value. Requires vault administrator access.
Body
Attributes for creating or updating a pick list value.
hiddenbooleanfalseWhether the value is hidden from users.
valuestringrequiredParameters
vault_idintegerrequiredpathfield_idintegerrequiredpathNumeric identifier of the field definition
idintegerrequiredpathNumeric identifier of the pick list value
Response
The updated pick list value
Missing or invalid API key
Pick list value not found, or vault is unauthorized
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"value": "blue",
"hidden": false
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"value": "blue",
"hidden": false
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"value": "blue",
"hidden": false
}),
});
const data = await response.json();{
"value": "blue",
"hidden": false
}{
"created_at": "2024-01-15T09:30:00Z",
"hidden": true,
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"value": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Delete a pick list value
Delete a pick list value. Requires vault administrator access.
Parameters
vault_idintegerrequiredpathfield_idintegerrequiredpathNumeric identifier of the field definition
idintegerrequiredpathNumeric identifier of the pick list value
Response
The pick list value was deleted
Missing or invalid API key
Pick list value not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/fields/{field_id}/pick_list_values/{id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Files
File attachments
Attach a file to an object
Attach a file to a record in the vault. The request must be sent as multipart/form-data (the file itself is the file part; the resource_class and resource_id fields identify the record to attach it to).
Files can only be attached to the four resource classes listed under resource_class: run, molecule, protocol, and eln_entry. Readout rows are not directly attachable — there is no readout_row resource class. To associate a file with protocol readout data, attach it to the parent run (resource_class: run, resource_id: the run's id) or to the protocol.
Body
filestring<binary>Path to the file to be uploaded
resource_classstringrunmoleculeprotocoleln_entryClass of the resource to which the file is attached
resource_idstringUnique identifier of the resource to which the file is attached
Parameters
vault_idintegerrequiredpathResponse
File successfully attached
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-F 'file=@/path/to/file' \
-F 'resource_class=run' \
-F 'resource_id=string'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
files={'file': open('/path/to/file', 'rb')},
data={'resource_class': 'run', 'resource_id': 'string'},
)
data = response.json()// `fileInput` is a file <input> element, e.g. document.querySelector('input[type=file]')
const formData = new FormData();
formData.append('file', fileInput.files[0]);
formData.append('resource_class', 'run');
formData.append('resource_id', 'string');
const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
body: formData,
});
const data = await response.json();{
"file": "<binary>",
"resource_class": "run",
"resource_id": "string"
}{
"id": "string",
"name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Retrieve a file
Return a single file with the content base64 encoded.
Parameters
vault_idintegerrequiredpathfile_idintegerrequiredpathResponse
Successful operation, output will depend on format selected when doing the query
Missing or invalid API key
Couldn't find this file
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"error": "Couldn't find file with 'id'={file_id}"
}Delete file
Delete a file
Parameters
vault_idintegerrequiredpathfile_idintegerrequiredpathResponse
The file
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/files/{file_id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"character_set": "US-ASCII",
"class": "uploaded file",
"contents": "VGhpcyBpcyBhIGZpbGUK",
"id": 1069448031,
"mime_type": {
"hash": -1147906696977776400,
"string": "text/plain",
"symbol": "text",
"synonyms": [
"string"
]
},
"name": "tmp.txt"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Import Parsers
Import parsers for structured data files
Get import parsers
List the import parsers (structured-file parsing templates) defined in the vault. The listing returns summary fields only; use the show endpoint to retrieve a parser's full template_json configuration.
Parameters
vault_idintegerrequiredpathResponse
List of import parsers
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"template_json": {}
}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get an import parser
Retrieve a single import parser, including its full template_json configuration.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the import parser
Response
The import parser
Missing or invalid API key
Import parser not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/import_parsers/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"template_json": {}
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Inventory
Sample inventory locations
Retrieve a list of Sample Inventory Locations for a given Vault
Returns a list of inventory locations within the specified vault.
Parameters
vault_idintegerrequiredpathX-CDD-TokenstringrequiredheaderAuthentication token
Response
A list of inventory locations
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_locations' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_locations',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_locations', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"class": "inventory location",
"created_at": "2023-10-30T18:25:41.771Z",
"filled_position_count": 0,
"id": 42,
"modified_at": "2023-10-30T18:25:41.771Z",
"num_columns": 0,
"num_rows": 0,
"parent_id": 130,
"position_limit": 0,
"value": "Gotham"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Inventory Samples
Inventory samples and their events
Get inventory samples
List inventory samples in the vault. Supports pagination (page_size, offset), asynchronous retrieval (async=true), and filtering by batch, project, and creation/modification dates. Requires inventory fields to be enabled for the vault.
Parameters
vault_idintegerrequiredpathpage_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
asyncbooleanqueryIf true, run the listing as an asynchronous export.
owner_idbooleanqueryIf true, additionally return the owner of each sample as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting the parameter, or passing false, returns exactly the default response with no owner_id key. Also applied to each sample's nested inventory events.
batch_idsstringqueryComma-separated batch ids to filter by.
inventory_sample_idsstringqueryComma-separated inventory sample ids to filter by.
projectsstringqueryComma-separated project ids to filter by.
created_afterstring<date-time>queryOnly include samples created on or after this time.
created_beforestring<date-time>queryOnly include samples created on or before this time.
modified_afterstring<date-time>queryOnly include samples modified on or after this time.
modified_beforestring<date-time>queryOnly include samples modified on or before this time.
Response
A page of inventory samples
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"batch": 0,
"batch_name": "string",
"class": "inventory sample",
"created_at": "2024-01-15T09:30:00Z",
"created_by_user_full_name": "string",
"current_amount": 0,
"depleted": true,
"fields": {},
"id": 0,
"inventory_events": [
{
"class": "inventory event",
"created_at": "2024-01-15T09:30:00Z",
"fields": {},
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"updated_by_user_full_name": "string"
}
],
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"units": "string",
"updated_by_user_full_name": "string"
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Create an inventory sample
Create an inventory sample for a batch.
Body
Attributes for creating an inventory sample.
batch_idintegerrequiredId of the batch this sample is an inventory of.
fieldsobjectCustom inventory sample field values, keyed by field name.
inventory_eventsArray<object>Initial inventory event(s) for the sample. At most one event may be supplied per request.
unitsstringgkgmgµgngmLLµLMmMµMnMmolmmolµmolnmolpmolcountrequiredUnits the sample amount is expressed in. One of: g, kg, mg, µg, ng, mL, L, µL, M, mM, µM, nM, mol, mmol, µmol, nmol, pmol, count.
Parameters
vault_idintegerrequiredpathResponse
The created inventory sample
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"batch_id": 456,
"units": "mg",
"fields": {
"Supplier": "Acme Chemicals"
},
"inventory_events": [
{
"fields": {
"Credit": 100
}
}
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"batch_id": 456,
"units": "mg",
"fields": {
"Supplier": "Acme Chemicals"
},
"inventory_events": [
{
"fields": {
"Credit": 100
}
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"batch_id": 456,
"units": "mg",
"fields": {
"Supplier": "Acme Chemicals"
},
"inventory_events": [
{
"fields": {
"Credit": 100
}
}
]
}),
});
const data = await response.json();{
"batch_id": 456,
"units": "mg",
"fields": {
"Supplier": "Acme Chemicals"
},
"inventory_events": [
{
"fields": {
"Credit": 100
}
}
]
}{
"batch": 0,
"batch_name": "string",
"class": "inventory sample",
"created_at": "2024-01-15T09:30:00Z",
"created_by_user_full_name": "string",
"current_amount": 0,
"depleted": true,
"fields": {},
"id": 0,
"inventory_events": [
{
"class": "inventory event",
"created_at": "2024-01-15T09:30:00Z",
"fields": {},
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"updated_by_user_full_name": "string"
}
],
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"units": "string",
"updated_by_user_full_name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get an inventory sample
Retrieve a single inventory sample.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the inventory sample
owner_idbooleanqueryIf true, additionally return the owner as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting the parameter, or passing false, returns exactly the default response with no owner_id key. Also applied to the sample's nested inventory events.
Response
The inventory sample
Missing or invalid API key
Inventory sample not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"batch": 0,
"batch_name": "string",
"class": "inventory sample",
"created_at": "2024-01-15T09:30:00Z",
"created_by_user_full_name": "string",
"current_amount": 0,
"depleted": true,
"fields": {},
"id": 0,
"inventory_events": [
{
"class": "inventory event",
"created_at": "2024-01-15T09:30:00Z",
"fields": {},
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"updated_by_user_full_name": "string"
}
],
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"units": "string",
"updated_by_user_full_name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update an inventory sample
Update an inventory sample. Only the supplied fields are changed. At most one inventory event may be added or updated per request.
Body
Attributes for updating an inventory sample. Only supplied fields are changed.
depletedbooleanMark the sample as depleted (true) or clear the depleted flag (false).
fieldsobjectCustom inventory sample field values, keyed by field name.
inventory_eventsArray<object>An inventory event to add or update. At most one event may be supplied per request. Include the event id to update an existing event; omit it to create a new one.
unitsstringgkgmgµgngmLLµLMmMµMnMmolmmolµmolnmolpmolcountUnits the sample amount is expressed in.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the inventory sample
Response
The updated inventory sample
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"depleted": false,
"fields": {
"Supplier": "New Supplier Inc"
},
"inventory_events": [
{
"id": 54321,
"fields": {
"Debit": 10
}
}
]
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"depleted": false,
"fields": {
"Supplier": "New Supplier Inc"
},
"inventory_events": [
{
"id": 54321,
"fields": {
"Debit": 10
}
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"depleted": false,
"fields": {
"Supplier": "New Supplier Inc"
},
"inventory_events": [
{
"id": 54321,
"fields": {
"Debit": 10
}
}
]
}),
});
const data = await response.json();{
"depleted": false,
"fields": {
"Supplier": "New Supplier Inc"
},
"inventory_events": [
{
"id": 54321,
"fields": {
"Debit": 10
}
}
]
}{
"batch": 0,
"batch_name": "string",
"class": "inventory sample",
"created_at": "2024-01-15T09:30:00Z",
"created_by_user_full_name": "string",
"current_amount": 0,
"depleted": true,
"fields": {},
"id": 0,
"inventory_events": [
{
"class": "inventory event",
"created_at": "2024-01-15T09:30:00Z",
"fields": {},
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"updated_by_user_full_name": "string"
}
],
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"owner": "string",
"owner_id": {
"first_name": "string",
"id": 0,
"last_name": "string"
},
"units": "string",
"updated_by_user_full_name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Delete an inventory sample
Delete an inventory sample. Samples that are associated with a protocol (readout rows) or a plate well cannot be deleted.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the inventory sample
Response
The inventory sample was deleted
Missing or invalid API key
The sample cannot be deleted (associated with a protocol or plate well)
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/inventory_samples/{id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"message": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Mapping Templates
Import mapping templates
Retrieve all the mapping templates
This will give you a summary of all the mapping templates.
If you need details, you need to use the GET /vaults/{vault_id}/mapping_templates/{mapping_template_id} endpoint.
Parameters
vault_idintegerrequiredpathResponse
List of all fields
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"created_at": "2021-12-23T23:59:22.000Z",
"id": 22704,
"modified_at": "2021-12-23T23:59:22.000Z",
"name": "Protac Registration",
"owner": "Charlie Weatherall"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Retrieve a single mapping template
This will give you the details about this mapping template
Parameters
vault_idintegerrequiredpathmapping_template_idintegerrequiredpathResponse
List of all fields
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates/{mapping_template_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates/{mapping_template_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/mapping_templates/{mapping_template_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2021-12-23T23:59:22.000Z",
"file": {
"file_name": "string",
"value": 0
},
"header_mappings": [
{
"definition": {
"data_type_name": "string",
"id": 0,
"name": "string",
"pick_list_values": [
"string"
],
"protocol_name": "string",
"type": "string"
},
"header": {
"id": 0,
"name": "string"
},
"run_grouping": 0
}
],
"id": 22704,
"modified_at": "2021-12-23T23:59:22.000Z",
"name": "Protac Registration",
"owner": "Charlie Weatherall"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Molecules
Molecules handling
Create a molecule
Create a molecule. This is only permitted in vaults that are NOT using a registration system; in registration vaults, register molecules by creating batches instead. To read or search molecules, use POST /molecules/query.
Body
Attributes for creating a molecule. Creating molecules directly is only allowed in vaults that are NOT using a registration system; in registration vaults, register molecules by creating batches instead.
collectionsArray<integer | string>Collections to add the molecule to (ids or names).
duplicate_resolutionstringnewpromptHow to handle a structure that duplicates an existing molecule. new registers a new molecule; prompt fails with the duplicate details so the caller can decide. Must match tautomer_resolution if both are given.
molecule_fieldsobjectCustom molecule field values, keyed by field name. The legacy alias udfs is also accepted.
namestringrequiredName of the molecule.
projectsArray<integer | string>Projects the molecule belongs to (ids or names).
registration_forminteger | stringThe registration form to use (id or name). Defaults to the vault default.
registration_typestringThe kind of entity being registered (e.g. CHEMICAL_STRUCTURE).
structurestringThe chemical structure, as SMILES or a molfile. For amino-acid, nucleotide, or mixture molecules use the corresponding structure representation accepted for that registration type.
synonymsArray<string>Alternative names for the molecule.
tautomer_resolutionstringnewpromptHow to handle a structure that is a tautomer of an existing molecule.
Parameters
vault_idintegerrequiredpathResponse
The created molecule
Missing or invalid API key
Validation error, or molecule creation is not allowed in this vault
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "My compound",
"structure": "CC(=O)Oc1ccccc1C(=O)O",
"synonyms": [
"Aspirin"
],
"projects": [
12
],
"molecule_fields": {
"Solubility": "High"
}
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "My compound",
"structure": "CC(=O)Oc1ccccc1C(=O)O",
"synonyms": [
"Aspirin"
],
"projects": [
12
],
"molecule_fields": {
"Solubility": "High"
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "My compound",
"structure": "CC(=O)Oc1ccccc1C(=O)O",
"synonyms": [
"Aspirin"
],
"projects": [
12
],
"molecule_fields": {
"Solubility": "High"
}
}),
});
const data = await response.json();{
"name": "My compound",
"structure": "CC(=O)Oc1ccccc1C(=O)O",
"synonyms": [
"Aspirin"
],
"projects": [
12
],
"molecule_fields": {
"Solubility": "High"
}
}{
"batches": [
{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15T09:30:00Z",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}
],
"class": "molecule",
"created_at": "2024-01-15T09:30:00Z",
"id": 1000211,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_fields": {},
"name": "Aspirin",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "chemical_structure",
"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
"synonyms": [
"string"
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get multiple molecules
Get the information from multiple molecules. We still support the now deprecated GET queries on the endpoint without 'query' in it and passing query parameters in the URL. It is highly recommended that you switch your applications to the POST queries described here.
Body
asyncbooleanIf true, do an asynchronous export. Use for large data sets.
batch_created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
batch_created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
batch_field_after_datestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
batch_field_after_namestringName of the batch date field to filter on (used with batch_field_after_date).
batch_field_before_datestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
batch_field_before_namestringName of the batch date field to filter on (used with batch_field_before_date).
batch_fieldsArray<string>Array of Batch field names to include in the resulting JSON. Defaults to all available fields.
collection_criteriaArray<object>Array of collection criteria objects. Filters results based on collection membership with support for AND/OR/XOR junctions and exclusion (NOT IN) logic.
created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
data_setsArray<integer>Array of public dataset ids. Defaults to all data sets.
fields_searchArray<object | object | object>Array of Molecule field names & values. Used to filter Molecules returned based on query values
include_original_structuresbooleanfalseIf true, include the original structure in the response. This is independent of no_structures.
inchikeystringFilter molecules by InChIKey.
modified_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
molecule_fieldsArray<string>Array of Molecule field names to include in the resulting JSON. Defaults to all available fields.
namesArray<string>Array of molecule names or synonyms to search for.
no_structuresbooleanfalseIf true, omit structure representations for a smaller and faster response.
offsetintegeronly_batch_idsbooleanfalseIf true, the full Molecule details are still returned but the Batch-level information is left out of the JSON results. (Only the IDs of the Batches are still included.)
only_idsbooleanfalseIf true, only return the ids of the molecules.
owner_idbooleanfalseIf true, additionally return the owner of each molecule as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting this property, or passing false, returns exactly the default response with no owner_id key. Also applied to each molecule's nested batches.
page_sizeinteger50Requested page size (maximum value 1000).
projectsArray<integer>Array of project ids. Defaults to all available projects.
protocol_criteriaArray<object>Array of protocol-based filters restricting results to molecules with (or without) matching protocol readout data. Criteria are combined using each entry's junction.
structurestringA SMILES or MOL string to search for.
structure_criterionobjectA structure-property filter object. Each property is filtered by an optional _minimum and/or _maximum bound. Properties from different registration types (chemical, nucleotide, amino acid) cannot be mixed in one request. Only a representative subset of the available properties is listed below; all follow the same <property>_minimum / <property>_maximum convention.
structure_search_typestringexactsubstructuresimilarityexact_with_stereoThe type of structure search to perform. Options are 'exact', 'substructure', 'similarity', or 'exact_with_stereo'.
structure_similarity_thresholdnumber[0, 1]Similarity threshold for similarity searches (0 to 1). Only used when structure_search_type is 'similarity'.
moleculesArray<integer>Comma separated list of molecule ids. Cannot be used with other parameters
Parameters
vault_idintegerrequiredpathResponse
Success
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/query' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"async": true,
"batch_created_after": "string",
"batch_created_before": "string",
"batch_field_after_date": "string",
"batch_field_after_name": "string",
"batch_field_before_date": "string",
"batch_field_before_name": "string",
"batch_fields": [
"string"
],
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"inchikey": "string",
"modified_after": "string",
"modified_before": "string",
"molecule_fields": [
"string"
],
"names": [
"string"
],
"no_structures": false,
"offset": 0,
"only_batch_ids": false,
"only_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure": "string",
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
},
"structure_search_type": "exact",
"structure_similarity_threshold": 0
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/query',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"async": true,
"batch_created_after": "string",
"batch_created_before": "string",
"batch_field_after_date": "string",
"batch_field_after_name": "string",
"batch_field_before_date": "string",
"batch_field_before_name": "string",
"batch_fields": [
"string"
],
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"inchikey": "string",
"modified_after": "string",
"modified_before": "string",
"molecule_fields": [
"string"
],
"names": [
"string"
],
"no_structures": false,
"offset": 0,
"only_batch_ids": false,
"only_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure": "string",
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
},
"structure_search_type": "exact",
"structure_similarity_threshold": 0
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/query', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"async": true,
"batch_created_after": "string",
"batch_created_before": "string",
"batch_field_after_date": "string",
"batch_field_after_name": "string",
"batch_field_before_date": "string",
"batch_field_before_name": "string",
"batch_fields": [
"string"
],
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"inchikey": "string",
"modified_after": "string",
"modified_before": "string",
"molecule_fields": [
"string"
],
"names": [
"string"
],
"no_structures": false,
"offset": 0,
"only_batch_ids": false,
"only_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "string",
"run_before": "string",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure": "string",
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
},
"structure_search_type": "exact",
"structure_similarity_threshold": 0
}),
});
const data = await response.json();{
"async": true,
"batch_created_after": "2024-01-15",
"batch_created_before": "2024-01-15",
"batch_field_after_date": "2024-01-15",
"batch_field_after_name": "string",
"batch_field_before_date": "2024-01-15",
"batch_field_before_name": "string",
"batch_fields": [
"string"
],
"collection_criteria": [
{
"collection_id": 0,
"junction": "AND",
"not_in": false
}
],
"created_after": "2024-01-15",
"created_before": "2024-01-15",
"data_sets": [
0
],
"fields_search": [
{
"name": "string",
"text_value": "string"
}
],
"include_original_structures": false,
"inchikey": "string",
"modified_after": "2024-01-15",
"modified_before": "2024-01-15",
"molecule_fields": [
"string"
],
"names": [
"string"
],
"no_structures": false,
"offset": 0,
"only_batch_ids": false,
"only_ids": false,
"owner_id": false,
"page_size": 50,
"projects": [
0
],
"protocol_criteria": [
{
"protocol_id": 0,
"data_set_id": 0,
"run_criterion": "any",
"run_id": 0,
"run_after": "2024-01-15",
"run_before": "2024-01-15",
"since_days_ago": 0,
"readout_definition_id": 0,
"operator": "=",
"readout_value": "string",
"readout_value_maximum": "string",
"calculation_error_type": "string",
"criterion_type": "data set or protocol",
"field": "string",
"query": "string",
"protocol_condition_ids": [
0
],
"negated": false,
"junction": "AND"
}
],
"structure": "string",
"structure_criterion": {
"heavy_atom_count_minimum": 0,
"heavy_atom_count_maximum": 0,
"cd_molweight_minimum": 0,
"cd_molweight_maximum": 0,
"exact_mass_minimum": 0,
"exact_mass_maximum": 0,
"log_p_minimum": 0,
"log_p_maximum": 0,
"log_d_minimum": 0,
"log_d_maximum": 0,
"log_s_minimum": 0,
"log_s_maximum": 0,
"num_aromatic_rings_minimum": 0,
"num_aromatic_rings_maximum": 0,
"num_h_bond_acceptors_minimum": 0,
"num_h_bond_acceptors_maximum": 0,
"num_h_bond_donors_minimum": 0,
"num_h_bond_donors_maximum": 0,
"num_rotatable_bonds_minimum": 0,
"num_rotatable_bonds_maximum": 0,
"num_rule_of_5_violations_minimum": 0,
"num_rule_of_5_violations_maximum": 0,
"topological_polar_surface_area_minimum": 0,
"topological_polar_surface_area_maximum": 0
},
"structure_search_type": "exact",
"structure_similarity_threshold": 0
}[
{
"batches": [
{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15T09:30:00Z",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}
],
"class": "molecule",
"created_at": "2024-01-15T09:30:00Z",
"id": 1000211,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_fields": {},
"name": "Aspirin",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "chemical_structure",
"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
"synonyms": [
"string"
]
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Get a molecule
Retrieve a single molecule by id. For querying multiple molecules or searching by structure, use POST /molecules/query.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the molecule
data_setsstringqueryComma-separated public dataset ids. Defaults to all data sets.
include_original_structuresbooleanqueryIf true, include the original structure in the response. This is independent of no_structures.
no_structuresbooleanqueryExclude structure representations (smiles, inchi, molfile, etc.).
only_batch_idsbooleanqueryReturn only the molecule's batch ids instead of full batch objects.
owner_idbooleanqueryIf true, additionally return the owner as an owner_id object with the owner's id, first name and last name. This is added alongside the owner full-name string, which is always returned and is left unchanged. Omitting the parameter, or passing false, returns exactly the default response with no owner_id key. Also applied to the molecule's nested batches.
projectsstringqueryComma-separated project ids. Defaults to all available projects.
Response
The molecule
Missing or invalid API key
Molecule not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"batches": [
{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15T09:30:00Z",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}
],
"class": "molecule",
"created_at": "2024-01-15T09:30:00Z",
"id": 1000211,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_fields": {},
"name": "Aspirin",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "chemical_structure",
"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
"synonyms": [
"string"
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a molecule
Update a molecule. Only the supplied fields are changed; array fields (synonyms, projects, collections) replace the existing values.
Body
Attributes for updating a molecule. Only the supplied fields are changed. Array fields (synonyms, projects, collections) replace the existing values.
collectionsArray<integer | string>Collections the molecule belongs to (ids or names). Replaces existing.
molecule_fieldsobjectCustom molecule field values, keyed by field name. The legacy alias udfs is also accepted.
namestringName of the molecule.
projectsArray<integer | string>Projects the molecule belongs to (ids or names). Replaces existing.
structurestringUpdated chemical structure, as SMILES or a molfile.
synonymsArray<string>Alternative names for the molecule. Replaces existing.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the molecule
Response
The updated molecule
Missing or invalid API key
Molecule not found, or vault is unauthorized
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "Renamed compound",
"synonyms": [
"Aspirin",
"2-Acetoxybenzoic acid"
],
"molecule_fields": {
"Solubility": "Medium"
}
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "Renamed compound",
"synonyms": [
"Aspirin",
"2-Acetoxybenzoic acid"
],
"molecule_fields": {
"Solubility": "Medium"
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "Renamed compound",
"synonyms": [
"Aspirin",
"2-Acetoxybenzoic acid"
],
"molecule_fields": {
"Solubility": "Medium"
}
}),
});
const data = await response.json();{
"name": "Renamed compound",
"synonyms": [
"Aspirin",
"2-Acetoxybenzoic acid"
],
"molecule_fields": {
"Solubility": "Medium"
}
}{
"batches": [
{
"batch_fields": {},
"class": "batch",
"created_at": "2024-01-15T09:30:00Z",
"formula_weight": 0,
"id": 42,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_batch_identifier": "DEMO-1000211-001",
"name": "Batch 1",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"salt_name": "string",
"solvent_of_crystallization_name": "string",
"stoichiometry": {
"core_count": 0,
"salt_count": 0,
"solvent_of_crystallization_count": 0
}
}
],
"class": "molecule",
"created_at": "2024-01-15T09:30:00Z",
"id": 1000211,
"modified_at": "2024-01-15T09:30:00Z",
"molecule_fields": {},
"name": "Aspirin",
"owner": "Charlie Weatherall",
"owner_id": {
"first_name": "Charlie",
"id": 12345,
"last_name": "Weatherall"
},
"projects": [
{
"id": 1,
"name": "Project 1"
}
],
"registration_type": "chemical_structure",
"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
"synonyms": [
"string"
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Get a molecule image
Request a rendered image of a molecule's structure. Image generation is asynchronous: this returns an export object whose progress you poll with GET /export_progress/{export_id}, then download the image with GET /exports/{export_id} once it is finished.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the molecule
widthintegerqueryImage width in pixels.
heightintegerqueryImage height in pixels.
formatstringsvgpngsvgqueryImage format.
Response
The export to poll for the generated image
Missing or invalid API key
Molecule not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}/image' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}/image',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/molecules/{id}/image', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"queued_job_position": 0,
"status": "new"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Plates
Plates of wells
Get plates
List plates in the vault. Supports pagination (page_size, offset), asynchronous retrieval (async=true), only_ids, and filtering by location, project, and creation/modification dates. Filtering by name is not available on this GET endpoint; use the POST query endpoint instead.
Parameters
vault_idintegerrequiredpathpage_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
asyncbooleanqueryIf true, run the listing as an asynchronous export.
only_idsbooleanqueryIf true, return only the ids of matching plates.
platesstringqueryComma-separated plate ids to filter by.
projectsstringqueryComma-separated project ids to filter by.
Response
List of plates
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"class": "plate",
"concentration": 0,
"concentration_unit_label": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"inventory_location_id": 0,
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"projects": [
{
"id": 0,
"name": "string"
}
],
"statistics": [
{}
],
"volume": 0,
"volume_unit_label": "string",
"wells": [
{
"batch": 0,
"col": 0,
"row": 0,
"sample": 0
}
]
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Create a plate
Create a plate. Requires write permission in the vault.
Body
Attributes for creating or updating a plate. On create, name and projects are required. Supplying wells replaces the plate's wells.
concentrationnumberconcentration_unit_labelstringinventory_locationintegerId of the inventory location for the plate.
locationstringnamestringprojectsArray<integer>Project ids the plate belongs to.
volumenumbervolume_unit_labelstringwellsArray<object>Wells to populate. Each well identifies its position by row+col or pos.
Parameters
vault_idintegerrequiredpathResponse
The created plate
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}),
});
const data = await response.json();{
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}{
"class": "plate",
"concentration": 0,
"concentration_unit_label": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"inventory_location_id": 0,
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"projects": [
{
"id": 0,
"name": "string"
}
],
"statistics": [
{}
],
"volume": 0,
"volume_unit_label": "string",
"wells": [
{
"batch": 0,
"col": 0,
"row": 0,
"sample": 0
}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a plate
Retrieve a single plate.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the plate
Response
The plate
Missing or invalid API key
Plate not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"class": "plate",
"concentration": 0,
"concentration_unit_label": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"inventory_location_id": 0,
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"projects": [
{
"id": 0,
"name": "string"
}
],
"statistics": [
{}
],
"volume": 0,
"volume_unit_label": "string",
"wells": [
{
"batch": 0,
"col": 0,
"row": 0,
"sample": 0
}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a plate
Update a plate. Requires write permission.
Body
Attributes for creating or updating a plate. On create, name and projects are required. Supplying wells replaces the plate's wells.
concentrationnumberconcentration_unit_labelstringinventory_locationintegerId of the inventory location for the plate.
locationstringnamestringprojectsArray<integer>Project ids the plate belongs to.
volumenumbervolume_unit_labelstringwellsArray<object>Wells to populate. Each well identifies its position by row+col or pos.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the plate
Response
The updated plate
Missing or invalid API key
Plate not found, or vault is unauthorized
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}),
});
const data = await response.json();{
"name": "Plate 001",
"projects": [
12
],
"location": "Freezer A",
"wells": [
{
"row": 0,
"col": 0,
"batch": 456
}
]
}{
"class": "plate",
"concentration": 0,
"concentration_unit_label": "string",
"created_at": "2024-01-15T09:30:00Z",
"id": 0,
"inventory_location_id": 0,
"location": "string",
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"projects": [
{
"id": 0,
"name": "string"
}
],
"statistics": [
{}
],
"volume": 0,
"volume_unit_label": "string",
"wells": [
{
"batch": 0,
"col": 0,
"row": 0,
"sample": 0
}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Delete a plate
Delete a plate. Requires write permission. A plate that has associated run data cannot be deleted.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the plate
Response
The plate was deleted
Missing or invalid API key
Plate not found, or vault is unauthorized
The plate cannot be deleted (it has associated run data)
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/plates/{id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Projects
Projects within a vault
Get projects
List the projects accessible to the API key in the vault. Each entry contains the project id and name.
Parameters
vault_idintegerrequiredpathResponse
List of projects
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();[
{
"description": "string",
"id": 0,
"members": [
{
"can_edit_data": true,
"can_manage_project": true,
"id": 0
}
],
"name": "string"
}
]{
"code": 401,
"error": "key not authorized for access to this vault"
}Create a project
Create a project. Requires permission to manage projects in the vault. The response contains the new project's id and name.
Body
Attributes for creating or updating a project.
descriptionstringProject description.
membersArray<object>Project members. On update this replaces the existing membership list. If omitted on create, the current user is added as a member.
namestringrequiredProject name (must be unique within the vault).
Parameters
vault_idintegerrequiredpathResponse
The created project
Missing or invalid API key
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}),
});
const data = await response.json();{
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}{
"description": "string",
"id": 0,
"members": [
{
"can_edit_data": true,
"can_manage_project": true,
"id": 0
}
],
"name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a project
Retrieve a single project, including its description and members.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the project
Response
The project
Missing or invalid API key
Project not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"description": "string",
"id": 0,
"members": [
{
"can_edit_data": true,
"can_manage_project": true,
"id": 0
}
],
"name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a project
Update a project. Requires permission to manage projects. Supplying members replaces the existing membership list.
Body
Attributes for creating or updating a project.
descriptionstringProject description.
membersArray<object>Project members. On update this replaces the existing membership list. If omitted on create, the current user is added as a member.
namestringrequiredProject name (must be unique within the vault).
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the project
Response
The updated project
Missing or invalid API key
Project not found, or vault is unauthorized
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}),
});
const data = await response.json();{
"name": "My project",
"description": "Compounds from the 2026 screening campaign",
"members": [
{
"user_id": 6021,
"can_manage_project": true,
"can_edit_data": true
}
]
}{
"description": "string",
"id": 0,
"members": [
{
"can_edit_data": true,
"can_manage_project": true,
"id": 0
}
],
"name": "string"
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Delete a project
Delete a project. Requires permission to manage projects. A project that still has associated data (runs, models, etc.) may not be deletable.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the project
Response
The project was deleted
Missing or invalid API key
Project not found, or vault is unauthorized
The project cannot be deleted (it still has associated data)
Authorization
ApiKeyAuthapiKey in headercurl -X DELETE 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.delete(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/projects/{id}', {
method: 'DELETE',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Protocols
Protocols and their readout data
Get protocols
List protocols in the vault. Supports pagination (page_size, offset), asynchronous retrieval (async=true), only_ids, no_runs (omit run data), and filtering by name, project, molecule, plate, and dates.
Parameters
vault_idintegerrequiredpathpage_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
asyncbooleanqueryIf true, run the listing as an asynchronous export.
only_idsbooleanqueryIf true, return only the ids of matching protocols.
no_runsbooleanqueryIf true, omit run data from each protocol.
namesstringqueryComma-separated protocol names to filter by.
protocolsstringqueryComma-separated protocol ids to filter by.
projectsstringqueryComma-separated project ids to filter by.
Response
A page of protocols
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"calculations": [
{}
],
"category": "string",
"class": "protocol",
"created_at": "2024-01-15T09:30:00Z",
"data_set": 0,
"description": "string",
"hit_definitions": [
{}
],
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"ontology_annotations": [
{}
],
"owner": "string",
"projects": [
0
],
"protocol_fields": {},
"protocol_statistics": [
{}
],
"readout_definitions": [
{}
],
"runs": [
{}
]
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get a protocol
Retrieve a single protocol. Pass no_runs=true to omit run data.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the protocol
no_runsbooleanqueryIf true, omit run data from the response.
Response
The protocol
Missing or invalid API key
Protocol not found, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"calculations": [
{}
],
"category": "string",
"class": "protocol",
"created_at": "2024-01-15T09:30:00Z",
"data_set": 0,
"description": "string",
"hit_definitions": [
{}
],
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"ontology_annotations": [
{}
],
"owner": "string",
"projects": [
0
],
"protocol_fields": {},
"protocol_statistics": [
{}
],
"readout_definitions": [
{}
],
"runs": [
{}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Update a protocol
Update a protocol's definition (name, projects, and protocol field values). This does not modify readout definitions. Requires write permission.
Body
Attributes for updating a protocol's definition (not its readout definitions). Only the supplied fields are changed.
namestringprojectsArray<integer>Project ids the protocol belongs to (replaces the existing set).
protocol_fieldsobjectCustom protocol field values, keyed by field name.
Parameters
vault_idintegerrequiredpathidintegerrequiredpathNumeric identifier of the protocol
Response
The updated protocol
Missing or invalid API key
Protocol not found, or vault is unauthorized
Validation error
Authorization
ApiKeyAuthapiKey in headercurl -X PUT 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"name": "My Inhibition Screen",
"projects": [
12
],
"protocol_fields": {
"Category": "Biochemical"
}
}'import requests
response = requests.put(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"name": "My Inhibition Screen",
"projects": [
12
],
"protocol_fields": {
"Category": "Biochemical"
}
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{id}', {
method: 'PUT',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"name": "My Inhibition Screen",
"projects": [
12
],
"protocol_fields": {
"Category": "Biochemical"
}
}),
});
const data = await response.json();{
"name": "My Inhibition Screen",
"projects": [
12
],
"protocol_fields": {
"Category": "Biochemical"
}
}{
"calculations": [
{}
],
"category": "string",
"class": "protocol",
"created_at": "2024-01-15T09:30:00Z",
"data_set": 0,
"description": "string",
"hit_definitions": [
{}
],
"id": 0,
"modified_at": "2024-01-15T09:30:00Z",
"name": "string",
"ontology_annotations": [
{}
],
"owner": "string",
"projects": [
0
],
"protocol_fields": {},
"protocol_statistics": [
{}
],
"readout_definitions": [
{}
],
"runs": [
{}
]
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}{
"code": 404,
"error": "Resource not found"
}Get protocol data
Retrieve the readout data (detail rows, with any matching aggregate-row readouts merged in) for a protocol. Supports pagination and filtering by molecule, plate, run, and project. Pass format=csv to produce a CSV export instead of JSON.
Parameters
vault_idintegerrequiredpathprotocol_idintegerrequiredpathNumeric identifier of the protocol
page_sizeintegerqueryMaximum number of records to return (default 50, maximum 1000).
offsetintegerqueryNumber of records to skip (for pagination).
asyncbooleanqueryIf true, run the query as an asynchronous export.
formatstringqueryIf "csv", produce a CSV export instead of a JSON page.
moleculesstringqueryComma-separated molecule ids to filter by.
runsstringqueryComma-separated run ids to filter by.
platesstringqueryComma-separated plate ids to filter by.
projectsstringqueryComma-separated project ids to filter by.
Response
A page of protocol readout data
Missing or invalid API key
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/data' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/data',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/protocols/{protocol_id}/data', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();{
"count": 0,
"objects": [
{
"batch": 0,
"id": 0,
"molecule": 0,
"readouts": {},
"run": 0,
"well": {}
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}Get dose-response plot
Generate dose-response plot image(s) for a batch within a protocol. By default, returns a ZIP archive containing one PNG per dose-response calculation on the protocol. Pass dose_response_calculation_id to get a single PNG for one calculation instead.
Parameters
vault_idintegerrequiredpathbatch_idintegerrequiredpathNumeric identifier of the batch
idintegerrequiredpathNumeric identifier of the protocol
dose_response_calculation_idintegerqueryRestrict the plot to a single dose-response calculation. When provided, a single PNG is returned; when omitted, a ZIP of PNGs is returned.
sizestringsmallmediumlargequeryImage size multiplier.
runsstringqueryComma-separated run ids to restrict the plotted data to.
Response
A single PNG (when dose_response_calculation_id is given) or a ZIP archive of PNGs (otherwise).
Missing or invalid API key
No data found for this batch/protocol, or vault is unauthorized
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}/protocols/{id}/plot' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}/protocols/{id}/plot',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.contentconst response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/batches/{batch_id}/protocols/{id}/plot', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.blob();"<binary>"{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Readout Rows
Rows of protocol readout data
Get multiple readout rows
Get multiple readout rows (rows of protocol data). We still support the now deprecated GET queries on the endpoint without 'query' in it and passing query parameters in the URL. It is highly recommended that you switch your applications to the POST queries described here.
When async is true the request returns an export to poll instead of the readout rows; check it with the GET export progress call and retrieve the result with the GET export call.
Body
asyncbooleanIf true, do an asynchronous export. Use for large data sets.
batchesArray<integer>Array of batch ids. Defaults to all batches.
created_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
created_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
data_setsArray<integer>Array of public dataset ids. Defaults to all data sets.
include_control_statebooleanfalseIf true, include the control state of each readout.
modified_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
modified_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
moleculesArray<integer>Array of molecule ids. Defaults to all molecules.
offsetintegeronly_idsbooleanfalseIf true, only return the ids of the readout rows.
page_sizeinteger50Requested page size (maximum value 1000).
platesArray<integer>Array of plate ids. Defaults to all plates.
projectsArray<integer>Array of project ids. Defaults to all available projects.
protocolsArray<integer>Array of protocol ids. Defaults to all protocols.
readout_rowsArray<integer>Array of readout row ids. Defaults to all readout rows.
runsArray<integer>Array of run ids. Defaults to all runs.
runs_afterstring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
runs_beforestring<date>An ISO 8601 date, or date and time — see Date and time formats. Timestamps on this field have one-second precision.
typeArray<string>detail_rowbatch_run_aggregate_rowbatch_protocol_aggregate_rowmolecule_protocol_aggregate_rowFilter to specific readout row types. Defaults to all types.
Parameters
vault_idintegerrequiredpathResponse
The matching readout rows, or the export to poll when async is true
Missing or invalid API key
Invalid query parameters, such as an illegal type
Authorization
ApiKeyAuthapiKey in headercurl -X POST 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/query' \
-H 'X-CDD-Token: YOUR_API_KEY' \
-H 'Content-Type: application/json' \
-d '{
"async": true,
"batches": [
0
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"include_control_state": false,
"modified_after": "string",
"modified_before": "string",
"molecules": [
0
],
"offset": 0,
"only_ids": false,
"page_size": 50,
"plates": [
0
],
"projects": [
0
],
"protocols": [
0
],
"readout_rows": [
0
],
"runs": [
0
],
"runs_after": "string",
"runs_before": "string",
"type": [
"detail_row"
]
}'import requests
response = requests.post(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/query',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
json={
"async": true,
"batches": [
0
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"include_control_state": false,
"modified_after": "string",
"modified_before": "string",
"molecules": [
0
],
"offset": 0,
"only_ids": false,
"page_size": 50,
"plates": [
0
],
"projects": [
0
],
"protocols": [
0
],
"readout_rows": [
0
],
"runs": [
0
],
"runs_after": "string",
"runs_before": "string",
"type": [
"detail_row"
]
},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/query', {
method: 'POST',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
'Content-Type': 'application/json',
},
body: JSON.stringify({
"async": true,
"batches": [
0
],
"created_after": "string",
"created_before": "string",
"data_sets": [
0
],
"include_control_state": false,
"modified_after": "string",
"modified_before": "string",
"molecules": [
0
],
"offset": 0,
"only_ids": false,
"page_size": 50,
"plates": [
0
],
"projects": [
0
],
"protocols": [
0
],
"readout_rows": [
0
],
"runs": [
0
],
"runs_after": "string",
"runs_before": "string",
"type": [
"detail_row"
]
}),
});
const data = await response.json();{
"async": true,
"batches": [
0
],
"created_after": "2024-01-15",
"created_before": "2024-01-15",
"data_sets": [
0
],
"include_control_state": false,
"modified_after": "2024-01-15",
"modified_before": "2024-01-15",
"molecules": [
0
],
"offset": 0,
"only_ids": false,
"page_size": 50,
"plates": [
0
],
"projects": [
0
],
"protocols": [
0
],
"readout_rows": [
0
],
"runs": [
0
],
"runs_after": "2024-01-15",
"runs_before": "2024-01-15",
"type": [
"detail_row"
]
}{
"count": 0,
"objects": [
{
"batch": 1,
"class": "readout row",
"created_at": "2024-01-02T03:04:05.000Z",
"id": 1,
"modified_at": "2024-01-02T03:04:05.000Z",
"molecule": 1,
"protocol": 1,
"readouts": {},
"run": 1,
"type": "detail_row",
"well": "string"
}
],
"offset": 0,
"page_size": 0
}{
"code": 401,
"error": "key not authorized for access to this vault"
}{
"code": 404,
"error": "Resource not found"
}Get a readout row
Get a single readout row (row of protocol data) by its id.
Parameters
vault_idintegerrequiredpathreadout_row_idintegerrequiredpathResponse
The readout row
Missing or invalid API key
Couldn't find this readout row
Authorization
ApiKeyAuthapiKey in headercurl -X GET 'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/{readout_row_id}' \
-H 'X-CDD-Token: YOUR_API_KEY'import requests
response = requests.get(
'https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/{readout_row_id}',
headers={'X-CDD-Token': 'YOUR_API_KEY'},
)
data = response.json()const response = await fetch('https://app.collaborativedrug.com/api/v1/vaults/{vault_id}/readout_rows/{readout_row_id}', {
method: 'GET',
headers: {
'X-CDD-Token': 'YOUR_API_KEY',
},
});
const data = await response.json();