chembl-database
Query ChEMBL's bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.
Target: Databases. Automatically collected · unverified.
Excerpt from the author’s documentation
Extracted from a fixed version of SKILL.md in its original language. This is the author’s documentation; installation, compatibility and runtime results have not been verified by this site.
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Topics in the source
- ChEMBL Database
- Overview
- When to Use This Skill
- Installation and Setup
- Python Client
- Basic Usage Pattern
- Core Capabilities
- 1. Molecule Queries
ChEMBL is a manually curated database of bioactive molecules maintained by the European Bioinformatics Institute (EBI), containing over 2 million compounds, 19 million bioactivity measurements, 13,000+ drug targets, and data on approved drugs and clinical candidates. Access and query this data programmatically using the ChEMBL Python client for drug discovery and medicinal chemistry research. This skill should be used when: Compound searches: Finding molecules by name, structure, or properties Target information: Retrieving data about proteins, enzymes, or biological targets Bioactivity data: Querying IC50, Ki, EC50, or other activity measurements Drug information: Looking up approved drugs, mechanisms, or indications Structure searches: Performing similarity or substructure searches Cheminformatics: Analyzing molecular properties and drug-likeness Target-ligand relationships: Exploring compound-target interactions Drug discovery: Identifying inhibitors, agonists, or bioactive molecules The ChEMBL Python client is required for programmatic access: Retrieve by ChEMBL ID: Search by name: Filter by properties: Retrieve target information: Search for specific target types: Query activi
This is an excerpt. Refer to the complete source and its current requirements.
- Source repository
- davila7/claude-code-templates
- Source file
- cli-tool/components/skills/scientific/chembl-database/SKILL.md
- Fixed revision
- 21be197f100a12b8d0dd9a211cc244c8179f84d3
Sources and evidence
This record was collected automatically. Its documentation, suitability and runtime behavior have not been manually verified.
Author: davila7/claude-code-templates · original repository metadata. Documentation review: Not reviewed. Last source check: 2026-11-09T15:01:39.932Z.
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