substructure_search
Identify compounds with specific substructures by entering a SMILES string query. Set a limit to retrieve up to 1,000 results using ChEMBL MCP Server.
Instructions
Find compounds containing specific substructures
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| limit | No | Number of results to return (1-1000, default: 25) | |
| smiles | Yes | SMILES string of the substructure query |