May 20, 2022
CDD Vault Update (May 2022[#2]): API Enhancements, Updated Visualization Interface and New Visualization Properties
New API Enhancements
The CDD Vault API has new features for querying molecules, plates, and field definitions, plus the ability to dynamically specify field mappings when importing data. Structure-based searching is now available in theGET Molecules
API call. The API can now perform exact-match, substructure search, InchiKey, and similarity searches by providing the following parameters:
- structure
- structure_search_type
- structure_similarity_threshold
- inchikey
GET Molecules
and GET Batches
API calls. These data field queries are implemented by including various combinations of these new parameters:
- Molecule_batch_identifier (only used with the
GET Batches
API call) - field_search
GET Plates
API call. The addition of these new parameters make this possible:
- names
- locations
GET Fields
API call. This API call will provide you with the “type” and “name” values of all fields within a Vault. The JSON returned by this API call is organized into the following sections of fields:
- Internal
- Batch
- Molecule
- Protocol
POST Slurps
API call, this GET Fields
API call will be useful in discovering the details of how each field in your data file should be mapped. For example, when using the header_mappings
parameter in a POST Slurps
API call, you need to include the ID and type of data field being mapped to and this new GET Fields
API call provides these details. See the various Knowledgebase articles linked above for technical details on using these new API features.