Individual skill
tooluniverse-admet-prediction
Comprehensive ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) profiling for drug candidates. Integrates ADMET-AI predictions, SwissADME drug-likeness, PubChemTox experimental toxicity, ChEMBL clinical data, Lipinski rule-of-five, and CYP interaction data. Use for drug-likeness assessment, BBB penetration, bioavailability, hepatotoxicity prediction, ADME/PK profiling, or screening compound libraries before lab testing.
plugin/skills/tooluniverse-admet-prediction/SKILL.md
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# ADMET Prediction & Drug Candidate Profiling
**ADMET reasoning**: a drug fails if it can't be absorbed, distributes to wrong tissues, isn't metabolized safely, or isn't excreted. Evaluate each property independently — good absorption doesn't compensate for liver toxicity. The ADME properties determine whether a compound reaches its target at therapeutic concentrations; toxicity determines whether it's safe to do so. Prioritize experimental data (T2) over computational predictions (T3) — ADMETAI predictions are screening tools, not definitive verdicts. When a FAIL is flagged in any toxicity category (hERG, AMES, DILI), treat it as program-limiting until wet-lab data refutes it.
**LOOK UP DON'T GUESS**: never assume SMILES, CID, or experimental LD50 values — always call PubChem to resolve compound identity before any ADMETAI or PubChemTox call.
Comprehensive pharmacokinetic and toxicity profiling integrating AI-based ADMET predictions, rule-based drug-likeness filters, and experimental benchmarks from curated databases.
## When to Use This Skill
**Triggers**:
- "What are the ADMET properties of [compound]?"
- "Is [drug] likely to cross the blood-brain barrier?"
- "Predict the toxicity of this SMILES: ..."