Does this skill require a local database installation?

No, it uses the chembl_webresource_client to query the European Bioinformatics Institute (EBI) ChEMBL API remotely.

Is the data provided by this skill reliable?

ChEMBL data is manually curated by the EBI, but the skill includes fields like data_validity_comment and potential_duplicate flags to help you assess data quality.

What kind of bioactivity data can I retrieve?

You can access measurements such as IC50, Ki, EC50, and other standardized activity metrics for millions of compound-target interactions.

What is the ChEMBL Database skill used for?

It allows Claude to programmatically query the ChEMBL database to retrieve information on bioactive molecules, drug targets, and experimental bioactivity data like IC50 values.

Can I perform chemical structure searches?

Yes, the skill supports both similarity searches (finding molecules with similar structures) and substructure searches using SMILES strings.

ChEMBL Database & Drug Discovery

Name: ChEMBL Database & Drug Discovery
Author: K-Dense-AI

byK-Dense-AI

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2,188

Data Science & ML

Queries the ChEMBL database for bioactive molecules, drug targets, and bioactivity data to accelerate medicinal chemistry and drug discovery research.

About

This skill integrates the ChEMBL database into the Claude Code environment, providing programmatic access to over 2 million bioactive molecules and 19 million bioactivity measurements. It enables researchers and developers to perform complex tasks such as finding potent inhibitors for specific protein targets, conducting structure-activity relationship (SAR) studies, and retrieving detailed drug information including mechanisms of action and clinical indications. By automating the use of the ChEMBL Python client, this skill streamlines cheminformatics workflows and data-driven drug discovery directly within the AI-assisted development process.

Key Features

Comprehensive drug information covering mechanisms and clinical indications
Chemical similarity and substructure search capabilities
Bioactivity data retrieval including IC50, Ki, and EC50 measurements
Target identification for proteins, enzymes, and biological pathways
Advanced molecule searching by name, properties, or SMILES structure
2,188 GitHub stars

Use Cases

Analyzing SAR (Structure-Activity Relationship) for a series of lead compounds
Retrieving molecular properties and drug-likeness data for virtual screening
Identifying potent inhibitors for a specific kinase or enzyme target

About

Key Features

Comprehensive drug information covering mechanisms and clinical indications
Chemical similarity and substructure search capabilities
Bioactivity data retrieval including IC50, Ki, and EC50 measurements
Target identification for proteins, enzymes, and biological pathways
Advanced molecule searching by name, properties, or SMILES structure
2,188 GitHub stars

Use Cases

Analyzing SAR (Structure-Activity Relationship) for a series of lead compounds
Retrieving molecular properties and drug-likeness data for virtual screening
Identifying potent inhibitors for a specific kinase or enzyme target