Query ChEMBL bioactive molecules and bioactivity data via Python client.
npx skills add https://github.com/jackspace/ClaudeSkillz --skill chembl-database
Please help me install this Agent Skill. Skill: chembl-database Source: https://github.com/jackspace/ClaudeSkillz/tree/main/skills/scientific-db-chembl-database Command: npx skills add https://github.com/jackspace/ClaudeSkillz --skill chembl-database
This Skill provides programmatic access to the ChEMBL database to query bioactive molecules, targets, and bioactivity data for medicinal chemistry and drug discovery.
Install the Python client (chembl_webresource_client), load molecules with molecule.filter(), and explore bioactivities.
High-intent search queries and answers about installing and using this skill.
Query bioactive molecules using the chembl_webresource_client Python library with molecule.filter() to search by ID, name, or property filters, then retrieve bioactivity data like IC50 and Ki values for your compounds of interest.
Yes, ChEMBL supports structure-based searches including similarity matching and substructure searches through the webresource client, enabling you to find molecules with comparable chemical properties or scaffolds.
The chembl_webresource_client retrieves molecule, target, and activity data that can be exported directly to pandas DataFrames for downstream statistical analysis, SAR evaluation, and medicinal chemistry workflows.
Query inhibitor bioactivity data from ChEMBL targets using the Python client, filter by potency metrics, and export results to pandas to conduct structure-activity relationship analyses across your compound series.
The chembl_webresource_client supports lazy evaluation and caching to optimize repeated queries, reducing API calls and improving performance when working with large bioactivity datasets.
SciMate-AIQuery ChEMBL molecule, target, and bioactivity data via the chembl_webresource_client Python package.
JosephWoodallQuery ChEMBL molecules, targets, and bioactivities with Django-style filters.
Hung-3008Query ChEMBL data for molecules, targets, and bioactivity results programmatically.
Yezez9Query PubChem via PUG-REST API and PubChemPy for chemical information.
