search_similar_compounds
Identify chemically similar compounds using Tanimoto similarity. Input a SMILES string, set a similarity threshold, and retrieve relevant results from PubChem’s extensive chemical database.
Instructions
Find chemically similar compounds using Tanimoto similarity
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| max_records | No | Maximum number of results (1-10000, default: 100) | |
| smiles | Yes | SMILES string of the query molecule | |
| threshold | No | Similarity threshold (0-100, default: 90) |