What is the ChEMBL Search skill for Claude Code?

It is a specialized plugin that allows Claude to perform semantic searches over the ChEMBL database of bioactive molecules, providing structured data and images for drug discovery tasks.

Does the output include molecular structures?

The search results often include URLs to molecular structure images and visualizations, making it easier to verify compounds visually.

Can this skill be used for SAR analysis?

Yes, it is specifically designed to help researchers find structure-activity relationship data by searching for chemical derivatives and their associated biological activities.

Do I need a special API key to use this skill?

Yes, this skill requires a Valyu API key. You can obtain one with free initial credits at the Valyu platform website.

How does semantic search improve drug discovery queries?

Unlike traditional keyword searches, semantic search understands scientific intent, allowing you to find relevant compounds and targets even if your query doesn't exactly match the database records.

ChEMBL Semantic Search

Name: ChEMBL Semantic Search
Author: yorkeccak

byyorkeccak

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Data Science & ML

Searches the ChEMBL database of bioactive molecules and drug targets using natural language queries.

About

This skill empowers researchers and developers to access the vast ChEMBL repository of bioactive molecules, drug targets, and experimental assay data directly within Claude Code. By leveraging Valyu's semantic search API, users can perform complex chemical and biological queries using natural language instead of rigid API parameters. Whether you are identifying hit compounds, validating targets, or researching structure-activity relationships, this tool provides structured JSON data, molecular images, and deep contextual search results to accelerate drug discovery and scientific exploration without the friction of traditional database indexing.

Key Features

Retrieval of full compound data, target info, and experimental assay results
9 GitHub stars
Semantic search understanding that captures context beyond keyword matching
Streamlined JSON output with built-in support for jq processing
Natural language querying of complex chemical and biological data
Direct links to molecular structures and data visualizations

Use Cases

Identifying lead compounds and selective inhibitors for specific therapeutic targets
Retrieving binding assays and biological activity data for target validation
Conducting structure-activity relationship (SAR) analysis for molecular optimization

About

Key Features

Retrieval of full compound data, target info, and experimental assay results
9 GitHub stars
Semantic search understanding that captures context beyond keyword matching
Streamlined JSON output with built-in support for jq processing
Natural language querying of complex chemical and biological data
Direct links to molecular structures and data visualizations

Use Cases

Identifying lead compounds and selective inhibitors for specific therapeutic targets
Retrieving binding assays and biological activity data for target validation
Conducting structure-activity relationship (SAR) analysis for molecular optimization