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Tooluniverse Chemical Compound Retrieval

Medical & Healthcare

Retrieve chemical compound data from PubChem and ChEMBL with disambiguation, cross-referencing, and stereochemistry handling. Use for resolving compound names to SMILES/InChI/CID/ChEMBL IDs (including OPSIN deterministic IUPAC-name-to-structure parsing), fetching molecular properties, distinguishing isomers/stereo forms, and cross-validating identity across databases. Always use English compound names; flags ambiguous queries (e.g., Vitamin D has multiple forms).

Publisher / source

mims-harvard/ToolUniverse (found on GitHub top repositories)

Upstream record

mims-harvard/ToolUniverse

Version

Version 1

Published

2026-11-11

Publication review

Approved for publication

Content fingerprint

8cbe00fb777265a2820252bcba4ebda746a88d370febbe6d7718f2cd54d675dd

Review before you use it

Publication approval is a recorded review state, not a guarantee of safe execution. Check the upstream license, required tools and permissions, and test in your intended client.

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Source: https://prompeteer.ai/skills-hub/7b4f6f32-0db2-4f12-a173-a6ea67ce7053