@datagrok/chembl

ChEMBL

ChEMBL is a package for the Datagrok platform. It showcases the ability to access data from external data bases (ChEMBL and UniChem) and detect custom semantic types. The package features are not limited to ChEBML database querying. Implementation of RDKit cartridge shows the ability for similarity and substructure searches in the databases. ChEMBL browser and different types of converts for chemical identifiers and notations also available.

Here are the directories of particular interest:

• connections : directory with connections settings to external DBs
• queries : directory with SQL data queries

See also:

• Grok API
• Packages
• Data Connection
• Data Query
• Info Panels
• Semantic Types