Admet Prediction
K-Dense-AI/drug-discovery-agent-skillsTurn a set of structures into absorption, distribution, metabolism, excretion, and toxicity estimates with ADMET-AI, and read them as a developability verdict rather than a table of numbers. Use this skill to run batch prediction over a library, interpret each endpoint against its DrugBank-approved percentile, and flag the liabilities that stop a series — hERG blockade, CYP inhibition, poor Caco-2 permeability, high clearance, and plasma protein binding. Also trigger on ADMET-AI, admet_ai, Chemprop-RDKit, hERG liability, CYP3A4 inhibition, Caco-2, bioavailability prediction, or developability...
At a glance
This skill is for Research and helps you predict admet properties for drug candidates, flag developability liabilities in chemical series, and run batch admet predictions on compound libraries.
git clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills
cp -r drug-discovery-agent-skills/skills/admet-prediction ~/.claude/skills/admet-prediction
Admet AiChempropdrug-discoverycomputational-chemistryBioavailabilityToxicity Screening
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