chembl-query

Query ChEMBL for drug bioactivity data by molecule, target, or activity.

130|4|Updated Mar 13, 2026
One-click install
npx skills add https://github.com/QSong-github/DrugClaw --skill chembl-query-qsong-github
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: chembl-query
Source: https://github.com/QSong-github/DrugClaw/tree/main/skills/dti/chembl
Command: npx skills add https://github.com/QSong-github/DrugClaw --skill chembl-query-qsong-github

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Retrieves and aggregates bioactivity data from ChEMBL for drugs, targets, and activities, enabling evidence-backed drug knowledge retrieval.

Core Features & Use Cases

  • Query molecules by ChEMBL ID or by name to obtain IDs and properties.
  • Retrieve associated bioactivities and target information with concise summaries.
  • Support single and batch queries with a REST fallback when the Python client isn't available.

Quick Start

Install the ChEMBL skill and run a sample query to fetch data for a drug like imatinib.

Frequently Asked Questions about chembl-query

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I query ChEMBL for drug bioactivity data using molecule names or IDs?

Query ChEMBL for drug bioactivity data by providing molecule names or ChEMBL IDs as input. The skill retrieves structured results including molecule properties, associated targets, activity types, values, and source references for traceability.

Do I need an API key to retrieve targets and activities from the ChEMBL database?

No API key is required to retrieve targets and activities from the ChEMBL database. The skill queries bioactivity data using either the chembl_webresource_client Python library or REST endpoints as a fallback.

Can I batch query multiple molecules and targets in ChEMBL at once?

Yes, you can batch query multiple molecules and targets in ChEMBL at once. The skill supports both single and batch queries to retrieve bioactivity data, returning structured results with molecule names and target information.

What information is included when I retrieve bioactivity data from ChEMBL?

Retrieving bioactivity data from ChEMBL returns structured results including molecule names, targets, activity types, activity values, source references, and ChEMBL IDs. This provides concise summaries and evidence-backed drug knowledge retrieval for traceability.

What happens if the chembl_webresource_client Python package is not available?

If the chembl_webresource_client Python package is not available, the skill falls back to using REST endpoints to query the ChEMBL database. This ensures you can still retrieve molecule, target, and bioactivity data without interruption.

Is querying ChEMBL bioactivity data suitable for large-scale drug-target interaction retrieval?

Querying ChEMBL bioactivity data is suitable for drug-target interaction retrieval using both single and batch queries. It aggregates evidence-backed drug knowledge by querying molecules, activities, and targets without requiring an API key.