substructure_search
Search the PubChem database for chemical compounds containing a specific substructure using a SMILES string input, with results limited by record count.
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 |