skills/claude-scientific-skills
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Fix descriptions to adhere to character limits

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Timothy Kassis
2025-10-21 09:33:30 -07:00
parent 163d6b9d6b
commit 32109101d0
83 changed files with 83 additions and 83 deletions
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scientific-databases/pubchem-database/SKILL.md
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---
name: pubchem-database
description: "Access and analyze chemical compound data from PubChem database using PubChemPy and PUG-REST API. Use this skill when you need to: search compounds by name/CID/SMILES/InChI/formula, retrieve molecular properties (MW/LogP/TPSA/H-bond counts), perform similarity searches with Tanimoto thresholds, conduct substructure searches for pharmacophores, convert between chemical formats (SMILES/InChI/SDF/JSON), generate 2D structure images, access bioactivity data from assays, get compound synonyms and annotations, screen compounds using Lipinski's Rule of Five, batch process multiple compounds, or find drug-like candidates. Handles 110M+ compounds and 270M+ bioactivities with rate limiting (5 req/sec, 400 req/min). Includes error handling for timeouts, not found errors, and missing properties. Supports both synchronous and asynchronous operations for large similarity/substructure searches."
description: "Query PubChem via PUG-REST API/PubChemPy (110M+ compounds). Search by name/CID/SMILES, retrieve properties, similarity/substructure searches, bioactivity, for cheminformatics."
---
# PubChem Database