chembl-database - Query ChEMBL Bioactive Molecule Database
Query bioactive molecules, compounds, and drug discovery data from ChEMBL database
Tags
Updated: 2026-06-30Capabilities
Typical Inputs
Typical Outputs
What this skill does
- search molecules
- filter molecules
- search similar compounds
- search substructures
- retrieve targets
- retrieve activities
- find inhibitors
- retrieve drugs
- retrieve mechanisms
- retrieve indications
- filter results
- export data
Inputs
- compound name
- SMILES string
- ChEMBL ID
- target name
- bioactivity type
- molecule properties
- similarity threshold
Outputs
- molecule records
- target records
- bioactivity measurements
- drug information
- mechanism data
- indication data
- search results
Requirements
- chembl_webresource_client
- Python environment
- API access