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Cortexa research tool·chemistry·pubchem
PubChem Search Compounds By Similarity
Search by similarity (Tanimoto coefficient), returns CID list of compounds with similarity above threshold to given SMILES molecule. Returns up to max_results CIDs (default 10).
AvailableCortexa
Schema
JSON Schema the agent (or your API call) must match.
JSON · 23 lines · 527 chars
Examples (1)
Default PubChem Search Compounds By Similarity call
public-safeinput
JSON · 5 lines · 77 chars
Expected response keys: success
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_PubChem_search_compounds_by_similarity
- Tool name
- PubChem_search_compounds_by_similarity
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse