home/categories/computational-chemistry/aipoch-medical-research-skills-scientific-skills-evidence-insights-chembl-database-skill-md
computational-chemistryresearch
chembl-database
Query the ChEMBL database for bioactive molecules, targets, bioactivities, and approved drugs; use this when you need to filter by physicochemical properties (e.g., MW, LogP), chemical structure (SMILES), or retrieve drug mechanism information.
maintainer
aipoch
Updated 3/23/2026
Stars
124
Forks
16
quick start
Installation and usage
Query the ChEMBL database for bioactive molecules, targets, bioactivities, and approved drugs; use this when you need to filter by physicochemical properties (e.g., MW, LogP), chemical structure (SMILES), or retrieve drug mechanism information.
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use chembl-database