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{
  "sources": [
    {
      "source": "ChEMBL",
      "train": 139761,
      "validation": 17102,
      "test": 18392,
      "total": 175255,
      "train_percent": 79.74722547145588,
      "validation_percent": 9.75835211548886,
      "test_percent": 10.494422413055263
    },
    {
      "source": "BindingDB",
      "train": 20803,
      "validation": 2908,
      "test": 2454,
      "total": 26165,
      "train_percent": 79.50697496655837,
      "validation_percent": 11.1140836995987,
      "test_percent": 9.37894133384292
    },
    {
      "source": "DrugCentral",
      "train": 2766,
      "validation": 417,
      "test": 244,
      "total": 3427,
      "train_percent": 80.7119929967902,
      "validation_percent": 12.16807703530785,
      "test_percent": 7.119929967901955
    }
  ],
  "pairs": 204847,
  "targets": 162,
  "splits": {
    "train": 163330,
    "test": 21090,
    "validation": 20427
  },
  "selection": "Minimum target-macro validation MAE averaged over three RF seeds; all sources, one common cohort. Exact ties use candidate name. Test is not used for selection."
}