tooluniverse-chemical-safety

When to Use This Skill

Triggers:

• "Is this chemical toxic?" / "What are the toxicity endpoints for [compound]?"
• "Assess the safety profile of [drug/chemical]"
• "What are the ADMET properties of [SMILES]?"
• "What genes does [chemical] interact with?"
• "What diseases are linked to [chemical] exposure?"
• "Predict toxicity for these molecules"
• "Drug safety assessment for [drug name]"
• "Environmental health risk of [chemical]"
• "Chemical hazard profiling"
• "Toxicogenomic analysis of [compound]"

Use Cases:

1. Predictive Toxicology: AI-predicted toxicity endpoints (AMES mutagenicity, DILI, LD50, carcinogenicity, skin reactions) for novel compounds via SMILES
2. ADMET Profiling: Full absorption, distribution, metabolism, excretion, toxicity characterization
3. Toxicogenomics: Chemical-gene interaction mapping, gene-disease associations from CTD
4. Regulatory Safety: FDA label warnings, boxed warnings, contraindications, adverse reactions
5. Drug Safety Assessment: Combined DrugBank safety + FDA labels + adverse event data
6. Chemical-Protein Interactions: STITCH-based chemical-protein binding and interaction networks
7. Environmental Toxicology: Chemical-disease associations for environmental contaminants

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KEY PRINCIPLES

1. Report-first approach - Create report file FIRST, then populate progressively
2. Tool parameter verification - Verify params via get_tool_info before calling unfamiliar tools
3. Evidence grading - Grade all safety claims by evidence strength (T1-T4)
4. Citation requirements - Every toxicity finding must have inline source attribution
5. Mandatory completeness - All sections must exist with data minimums or explicit "No data" notes
6. Disambiguation first - Resolve compound identity (name -> SMILES, CID, ChEMBL ID) before analysis
7. Negative results documented - "No toxicity signals found" is data; empty sections are failures
8. Conservative risk assessment - When evidence is ambiguous, flag as "requires further investigation"
9. English-first queries - Always use English chemical/drug names in tool calls

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