superstructure_search
Identify larger chemical compounds containing a specific molecular structure by inputting its SMILES string, with customizable result limits in the PubChem database.
Instructions
Find larger compounds that contain the query structure
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| max_records | No | Maximum number of results (1-10000, default: 100) | |
| smiles | Yes | SMILES string of the query structure |