{
  "schemaVersion": 1,
  "slug": "pubchef",
  "name": "pubchef",
  "description": "Look up what a compound has been reported to do — PubCheF pairs PubChem compounds with 5,215 function labels mined from the PubMed literature, plus a 10,311-compound benchmark and ZINC20-wide predictions. Match by CID, SMILES or InChIKey.",
  "category": "data",
  "version": "1.0.0",
  "author": "Heureka Labs",
  "license": "CC-BY-4.0",
  "tags": [
    "pubchef",
    "chemical-function",
    "literature-mining",
    "pubchem",
    "cheminformatics"
  ],
  "covers": [
    "pubchef",
    "chemical function",
    "compound function",
    "drug repurposing",
    "mechanism of action",
    "bioactivity",
    "pubmed",
    "literature mining",
    "text mining",
    "pubchem",
    "cid",
    "smiles",
    "inchikey",
    "zinc20",
    "chembl",
    "open targets",
    "small molecule",
    "cheminformatics",
    "anticancer",
    "antibiotic",
    "antiviral",
    "antifungal",
    "antimalarial",
    "cytotoxic",
    "anti-inflammatory",
    "neuroprotective",
    "function labels",
    "benchmark",
    "virtual screening",
    "ligand"
  ],
  "papers": [
    "doi:10.64898/2026.08.09.743788",
    "PMID:38873033",
    "PMID:38106612"
  ],
  "access": [
    "open"
  ],
  "platform": "huggingface",
  "updatedAt": "2026-09-29T22:08:31-04:00",
  "source": {
    "repo": "heurekalabsco/heurekaskills",
    "commit": "87bef344c860de2523de46617b1f9e4d0a34c5ac",
    "path": "skills/pubchef"
  },
  "checksum": "sha256:a69330645d0e1178f690a46bace4ee59c0166a539be03d500cc9ac4c8568f52d",
  "signals": null,
  "files": [
    {
      "path": "SKILL.md",
      "url": "https://heurekaskills.com/pubchef/files/SKILL.md",
      "size": 19610,
      "sha256": "680951404a99e40c7059c6ae420d9962e659a250c3dbf839fd153e657accab6e"
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}