Data & ReproDrug Discovery & CheminformaticsK-Dense-AI/claude-scientific-skillsData & Reproduction
PU

PubChem

Maintainer K-Dense Inc. · Last updated April 1, 2026

PubChem is the world's largest freely available chemical database with 110M+ compounds and 270M+ bioactivities. Query chemical structures by name, CID, or SMILES, retrieve molecular properties, perform similarity and substructure searches, access bioactivity data using PUG-REST API and PubChemPy.

Claude CodeOpenClawNanoClawAnalysisReproductionpubchem-databasechemistrydatabasegeneral

Original source

K-Dense-AI/claude-scientific-skills

https://github.com/K-Dense-AI/claude-scientific-skills/tree/main/scientific-skills/pubchem-database

Maintainer
K-Dense Inc.
License
Unknown
Last updated
April 1, 2026

Skill Snapshot

Key Details From SKILL.md

2 min

Use cases

  • Use PubChem for medicinal chemistry and drug-discovery work.
  • Apply PubChem to compound, target, or screening workflows.
  • Searching for chemical compounds by name, structure (SMILES/InChI), or molecular formula.
  • Retrieving molecular properties (MW, LogP, TPSA, hydrogen bonding descriptors).

Not for

  • Do not rely on this catalog entry alone for installation or maintenance details.

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