{
  "task_id": "pxr-activation-released-513",
  "public_retrospective": true,
  "source": {
    "repository": "openadmet/pxr-challenge-train-test",
    "revision": "063e723841063c2dfa86231f58fb59a6a738d113",
    "retrieved_date": "2026-10-14",
    "files": [
      {
        "filename": "README.md",
        "url": "https://huggingface.co/datasets/openadmet/pxr-challenge-train-test/resolve/063e723841063c2dfa86231f58fb59a6a738d113/README.md",
        "sha256": "c70ec4d5fbee9fcce6081a1ef3ae4faa05dc013069695b1df09537ebb1a21d81",
        "size_bytes": 7196
      },
      {
        "filename": "pxr-challenge_TRAIN.csv",
        "url": "https://huggingface.co/datasets/openadmet/pxr-challenge-train-test/resolve/063e723841063c2dfa86231f58fb59a6a738d113/pxr-challenge_TRAIN.csv",
        "sha256": "fdc2252bb5763ab5742e78cb1ba692bebe131a972cf83aa1bd45e43d8c5bc223",
        "size_bytes": 858687
      },
      {
        "filename": "pxr-challenge_TEST_PHASE_1_UNBLINDED.csv",
        "url": "https://huggingface.co/datasets/openadmet/pxr-challenge-train-test/resolve/063e723841063c2dfa86231f58fb59a6a738d113/pxr-challenge_TEST_PHASE_1_UNBLINDED.csv",
        "sha256": "5428632361f598376fece2ebb3a8f247b71777b708bceb4254e36a2cb3430c75",
        "size_bytes": 50346
      },
      {
        "filename": "pxr-challenge_TEST_PHASE_2_UNBLINDED.csv",
        "url": "https://huggingface.co/datasets/openadmet/pxr-challenge-train-test/resolve/063e723841063c2dfa86231f58fb59a6a738d113/pxr-challenge_TEST_PHASE_2_UNBLINDED.csv",
        "sha256": "f875351862965f85bbf9aad38b3910a9506c40f293f4d7b90fd2562d55bd63ff",
        "size_bytes": 51788
      },
      {
        "filename": "pxr-challenge_TEST_BLINDED.csv",
        "url": "https://huggingface.co/datasets/openadmet/pxr-challenge-train-test/resolve/063e723841063c2dfa86231f58fb59a6a738d113/pxr-challenge_TEST_BLINDED.csv",
        "sha256": "e8a8eed3e81e4fb6c443cba2200a89f855f769541ce786508f7efc2b4edb517c",
        "size_bytes": 31805
      }
    ]
  },
  "license": "CC-BY-4.0",
  "attribution": "OpenADMET; experimental data provided by Octant",
  "license_url": "https://creativecommons.org/licenses/by/4.0/",
  "transformation": {
    "train_file": "pxr-challenge_TRAIN.csv",
    "evaluation_files": [
      "pxr-challenge_TEST_PHASE_1_UNBLINDED.csv",
      "pxr-challenge_TEST_PHASE_2_UNBLINDED.csv"
    ],
    "column_mapping": {
      "pEC50": "pec50"
    },
    "identifiers": "Molecule Name copied to molecule_id; SMILES copied byte-for-byte as field strings; source row order retained.",
    "labels": "All source numeric cell strings retained. Empty fields remain empty; no imputation or censor-bound substitution.",
    "evaluation": "PXR phases 1 then 2 concatenated, not the historical phase-2-only final leaderboard."
  },
  "train_rows": 4139,
  "evaluation_rows": 513,
  "statistics": {
    "pec50": {
      "train_observed": 4139,
      "train_missing": 0,
      "train_reported_zero": 0,
      "evaluation_observed": 513,
      "evaluation_missing": 0,
      "evaluation_reported_zero": 0,
      "training_constant": 4.65,
      "constant_baseline_mae": 0.8007894736842104
    }
  },
  "baseline": {
    "method": "Per-endpoint training median in the scoring space",
    "score": 0.8007894736842104,
    "novel_model": false
  },
  "exact_id_overlap": 0,
  "exact_smiles_string_overlap": 0,
  "overlap_limitation": "No chemical canonicalization was used. Exact-string checks do not rule out salt, tautomer, stereo or chemical-series overlap.",
  "reference_hashes": {
    "labels.csv": "1b567518edbcb5758b7f4d385135b783fe597e31c39a1537fe7f7ae64c17b67a",
    "test.csv": "b1deed88920368b97461d00a416ba747e7e8b0e6405a7ff450cdd14769c0cc74",
    "train.csv": "3531615af80047c4cfb051fc24661cfa369c84f33b6553ad625d5dff12da65e2"
  }
}
