AA
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数据与复现
CH
chemical-property-lookup
维护者 FreedomIntelligence · 最近更新 2026年4月1日
Look up chemical properties from PubChem, ChEMBL, DrugBank by name/SMILES.
原始来源
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/chemical-property-lookup
- 维护者
- FreedomIntelligence
- 许可
- MIT
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- description (10-20 chars)：RDKit stats。
- keywords：SMILES，RDKit，Lipinski，QED，ADMET。
- measurable_outcome：Return validated property summary (JSON + Lipinski verdict) ，用于 each SMILES within 60 seconds of request。
- description (10-20 chars)：RDKit stats keywords：SMILES，RDKit，Lipinski，QED，ADMET measurable_outcome：Return validated property summary (JSON + Lipinski verdict) ，用于 each SMILES within 60 seconds of request。
- 1. Validate SMILES input；raise explicit errors ，用于 invalid syntax. 2. Call helpers ，面向 molecular_tools.py (summarize_properties，check_lipinski，etc.). 3. Report MW，logP，TPSA，HBD/HBA，QED，、 Lipinski pass/fail ，支持 violations. 4. Surface any calculation warnings (e.g.，aromaticity perception issues)。
原始文档
SKILL.md 摘录
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.
适用场景
- Use chemical-property-lookup ，用于 medicinal chemistry 、 drug-discovery work。
- Apply chemical-property-lookup to compound，target，或 screening workflows。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
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