A specialized skill for querying the ChEMBL database to retrieve comprehensive bioactivity data and drug discovery information.
Install & Download
1. ClawHub CLI
The fastest way to install a skill directly from the registry.
npx clawhub@latest install chembl-query
2. Manual Installation
Copy the skill folder to one of these locations
~/.openclaw/skills/ <project>/skills/ Priority: Workspace > Local > Bundled
3. Prompt Installation
Copy this prompt to OpenClaw to install it automatically.
Help me install chembl-query using Clawhub. If Clawhub is not installed, install it first (npm i -g clawhub).
Prefer to download?
Get the raw skill files in a ZIP archive.
What is ChEMBL Query?
The ChEMBL Query skill provides a powerful interface for AI agents to interact with one of the world's largest databases of bioactive molecules with drug-like properties. By integrating this capability through Openclaw Skills, developers can automate the process of retrieving chemical structures, protein targets, and clinical data. This skill bridges the gap between raw biochemical data and actionable insights for pharmaceutical research.
This integration allows for high-throughput screening of data directly within an agentic workflow. Whether you are performing target-based searches or looking for drug indications, using this tool within the Openclaw Skills ecosystem ensures that your AI agents have the most relevant bioactivity information at their fingertips.
ChEMBL Query Use Cases
- Find compounds active against a specific protein target using names or UniProt IDs.
- Retrieve full bioactivity profiles for molecules using SMILES strings or ChEMBL IDs.
- Search for drugs studied for specific disease indications and filter by clinical trial phase.
- Analyze the potency of compounds based on pChEMBL values and IC50 measurements.
How ChEMBL Query Works
- The AI agent identifies the query intent, such as searching for a target, molecule, or indication.
- The user provides specific parameters like a target name (e.g., EGFR), a molecule name (e.g., imatinib), or a disease (e.g., diabetes).
- The skill formats a request to the ChEMBL database via the open-biomed tool registry.
- The tool retrieves structured bioactivity data, including standard values, units, and clinical phases.
- The Openclaw Skills agent processes the returned JSON data to present summarized insights or further analyze the compound's potential.
ChEMBL Query Setup
To use this skill within the Openclaw Skills framework, ensure you have the necessary biomedical tools installed in your environment.
pip install open-biomed
No additional API keys are typically required for public ChEMBL access, but ensure your network allows connections to the ChEMBL API endpoints.
ChEMBL Query Data Schema & Taxonomy
The skill returns structured data tables depending on the query type. Below is the metadata taxonomy for results generated by Openclaw Skills:
| Field | Description |
|---|---|
molecule_chembl_id |
The unique identifier for the molecule in ChEMBL |
target_name |
The biological target associated with the activity |
standard_type |
The type of measurement (e.g., IC50, Ki, EC50) |
pchembl_value |
Logarithmic potency value (higher is more potent) |
max_phase |
Clinical development phase (0 for Preclinical, 4 for Approved) |
smiles |
Simplified Molecular Input Line Entry System string |
ChEMBL Query Advanced Features
- Multi-parameter filtering: Combine standard value thresholds (LTE) with clinical phase requirements.
- Cross-referencing: Support for UniProt ID to ChEMBL mapping for precise protein targeting.
- Potency Interpretation: Automated classification of activity from 'Inactive' to 'Extremely Potent' based on pChEMBL scores.
- Flexible Input: Support for both human-readable names and technical identifiers like SMILES and ChEMBL IDs within Openclaw Skills workflows.
SKILL.md
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