{
  "schemaVersion": 1,
  "slug": "aizynthfinder",
  "name": "aizynthfinder",
  "description": "Plan retrosynthetic routes to purchasable building blocks with AiZynthFinder on CPU — fetch the CC-BY USPTO models, build a stock that actually matches (InChIKeys), bound the search, and rank and read the route trees.",
  "category": "models",
  "version": "1.0.0",
  "author": "Heureka Labs",
  "license": "CC-BY-4.0",
  "tags": [
    "cheminformatics",
    "drug-discovery",
    "retrosynthesis"
  ],
  "covers": [
    "retrosynthesis",
    "synthesis planning",
    "route planning",
    "CASP",
    "computer-aided synthesis planning",
    "reaction templates",
    "USPTO",
    "Monte Carlo tree search",
    "MCTS",
    "building blocks",
    "starting materials",
    "purchasable compounds",
    "stock",
    "ZINC",
    "InChIKey",
    "small molecule",
    "medicinal chemistry",
    "synthetic accessibility",
    "ONNX",
    "AstraZeneca",
    "MolecularAI"
  ],
  "papers": [
    "doi:10.1186/s13321-020-00472-1",
    "doi:10.1186/s13321-024-00860-x"
  ],
  "updatedAt": "2026-10-23T07:57:26-04:00",
  "source": {
    "repo": "heurekalabsco/heurekaskills",
    "commit": "c03b67d93fcbaba270dda38427ac267dd75ec120",
    "path": "skills/aizynthfinder"
  },
  "checksum": "sha256:86d962be78c2cbdedd4cd4106b71629e50cece665989a220ae6cd83cc2b272a2",
  "signals": null,
  "files": [
    {
      "path": "SKILL.md",
      "url": "https://heurekaskills.com/aizynthfinder/files/SKILL.md",
      "size": 37918,
      "sha256": "abac1ca222bf993c1584dfff2bba415be9f6a00ade92c335946cb00850a5733f"
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}