Individual skill

pubchem-compound-search

Query PubChem (110M+ compounds) directly via the PUG-REST/JSON API with plain `requests` — no SDK install required. Search by name/CID/SMILES/InChIKey/formula, retrieve properties (MW, XLogP, TPSA, H-bond counts), do similarity/substructure searches with async ListKey polling, fetch synonyms, descriptions, assay summaries, and download SDF/PNG. For local cheminformatics use rdkit; for bioactivity-centric workflows use chembl-database-bioactivity.

skills/structural-biology-drug-discovery/pubchem-compound-search/SKILL.md

Source commit 55c1bd3e863d11bf5a853d24bcdda10c88e6eddf

What was checked

Matches the observed repository HEAD

Yes

Scanner rules are current

No

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No

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No

Observed behavior

Not checked yet

Last checked

Nov 5, 2026

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