substructure_search
Identify compounds with a specific chemical substructure using SMILES string input and retrieve relevant results from PubChem’s extensive database.
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 |