{
 "published_holdout": {
  "name": "InChIKey connectivity layer",
  "rule": "every indexed ligand sharing the first block of the query's InChIKey is removed from retrieval for that query",
  "mean_ligands_removed_per_query": 1.08
 },
 "scaffold_holdout": {
  "name": "Bemis-Murcko generic scaffold",
  "rule": "every indexed ligand sharing the query's generic Murcko scaffold is removed, in addition to the connectivity rule",
  "generated_by": "rdkit.Chem.Scaffolds.MurckoScaffold.MakeScaffoldGeneric(GetScaffoldForMol(mol))",
  "mean_ligands_removed_per_query": 97.29
 },
 "index_admission": {
  "molecular_weight_window_daltons": [
   250.0,
   900.0
  ],
  "pairing_rule_as_published": "every non-polymer component in the mass window paired with every UniProt accession carried by the entry's polymer entities",
  "pairing_rule_contact_verified": "an accession is kept only where a detected interaction of that ligand touches a chain belonging to it"
 },
 "scoring": {
  "similarity": "Tanimoto",
  "morgan": {
   "radius": 2,
   "n_bits": 2048,
   "generator": "rdFingerprintGenerator.GetMorganGenerator"
  },
  "pharmcast": {
   "n_bits": 10549,
   "source": "predicted from 2D by PharmCast"
  },
  "hit_credit_any": "the retained set contains at least one accession the query is recorded against",
  "hit_credit_all": "the retained set contains every accession the query is recorded against"
 }
}