BigHugger
sk Skill · K-Dense-AI

chembl

Query the ChEMBL database web services for measured bioactivity data, compound records and calculated properties, targets, assays, mechanisms of action, drug indications and warnings. Use this skill to build curated SAR or QSAR datasets for a target, look compounds up by SMILES, InChIKey, name, or ChEMBL id, run similarity and substructure searches, and check what chemistry is already known against a protein. Also…

installs 8w
0
30-day movement
starts with the next reading
Related entries
1
Connections
1
bashPython
Host repository
K-Dense-AI/drug-discovery-agent-skills
Version
1.0
Allowed tools
Read Write Edit Bash
Compatible with
bulk analyses beyond ~100k activities should use the FTP database dump rather than the API.
Licence
MIT
Host stars
30
Host language
Python