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chemical-property-lookup
Maintainer FreedomIntelligence · Last updated April 1, 2026
Look up chemical properties from PubChem, ChEMBL, DrugBank by name/SMILES.
Original source
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/chemical-property-lookup
- Maintainer
- FreedomIntelligence
- License
- MIT
- Last updated
- April 1, 2026
Skill Snapshot
Key Details From SKILL.md
Key Notes
- description (10-20 chars): RDKit stats.
- keywords: SMILES, RDKit, Lipinski, QED, ADMET.
- measurable_outcome: Return a validated property summary (JSON + Lipinski verdict) for each SMILES within 60 seconds of request.
- description (10-20 chars): RDKit stats keywords: SMILES, RDKit, Lipinski, QED, ADMET measurable_outcome: Return a validated property summary (JSON + Lipinski verdict) for each SMILES within 60 seconds of request.
- 1. Validate SMILES input; raise explicit errors for invalid syntax. 2. Call helpers from molecular_tools.py (summarize_properties, check_lipinski, etc.). 3. Report MW, logP, TPSA, HBD/HBA, QED, and Lipinski pass/fail with violations. 4. Surface any calculation warnings (e.g., aromaticity perception issues).
Source Doc
Excerpt From SKILL.md
Guardrails
- Never infer stereochemistry; report as "not provided".
- Log invalid SMILES for manual follow-up.
- Communicate that results are screening heuristics, not definitive ADMET outcomes.
Use cases
- Use chemical-property-lookup for medicinal chemistry and drug-discovery work.
- Apply chemical-property-lookup to compound, target, or screening workflows.
Not for
- Do not rely on this catalog entry alone for installation or maintenance details.
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