substructure_search
Query PubChem database to identify compounds that contain a specified chemical substructure using SMILES notation, with customizable result limits.
Instructions
Find compounds containing a specific substructure
Input Schema
Name | Required | Description | Default |
---|---|---|---|
max_records | No | Maximum number of results (1-10000, default: 100) | |
smiles | Yes | SMILES string of the substructure query |