superstructure_search
Search for larger chemical compounds containing a specific query structure using SMILES input. Retrieve relevant results from over 110 million PubChem compounds for research and analysis.
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 |