{
  "schemaVersion": 1,
  "slug": "admet-ai",
  "name": "admet-ai",
  "description": "Predict 41 Therapeutics Data Commons ADMET endpoints plus 11 RDKit properties from SMILES with ADMET-AI on CPU — raw predictions by default, DrugBank percentiles only for non-commercial use, and a range gate for the unbounded regression heads.",
  "category": "models",
  "version": "1.0.0",
  "author": "Heureka Labs",
  "license": "CC-BY-4.0",
  "tags": [
    "admet",
    "cheminformatics",
    "drug-discovery",
    "licensing",
    "smiles"
  ],
  "covers": [
    "ADMET",
    "absorption",
    "distribution",
    "metabolism",
    "excretion",
    "toxicity",
    "solubility",
    "lipophilicity",
    "permeability",
    "Caco-2",
    "PAMPA",
    "blood-brain barrier",
    "CYP inhibition",
    "CYP substrate",
    "hERG",
    "DILI",
    "AMES mutagenicity",
    "Tox21",
    "clearance",
    "half-life",
    "volume of distribution",
    "plasma protein binding",
    "bioavailability",
    "SMILES",
    "small molecule",
    "lead optimisation",
    "Therapeutics Data Commons",
    "chemprop"
  ],
  "papers": [
    "doi:10.1093/bioinformatics/btae416",
    "doi:10.1038/s41589-022-01131-2"
  ],
  "updatedAt": "2026-10-28T12:37:30-04:00",
  "source": {
    "repo": "heurekalabsco/heurekaskills",
    "commit": "b1927336b0d066f0c2cbc6d28b6a603b929e2709",
    "path": "skills/admet-ai"
  },
  "checksum": "sha256:543d47824d6695d5fb66dde8fe77182ddec2edc96246b492c2f08a97d7e2fdf2",
  "signals": null,
  "files": [
    {
      "path": "SKILL.md",
      "url": "https://heurekaskills.com/admet-ai/files/SKILL.md",
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}