{
  "target": "contains_sugar",
  "task": "binary_classification",
  "positive_label": 1,
  "negative_label": 0,
  "tabular_features": [
    "total_atom_count",
    "heavy_atom_count",
    "molecular_weight",
    "exact_molecular_weight",
    "van_der_walls_volume",
    "alogp",
    "topological_polar_surface_area",
    "rotatable_bond_count",
    "hydrogen_bond_acceptors",
    "hydrogen_bond_donors",
    "hydrogen_bond_acceptors_lipinski",
    "hydrogen_bond_donors_lipinski",
    "lipinski_rule_of_five_violations",
    "aromatic_rings_count",
    "qed_drug_likeliness",
    "formal_charge",
    "fractioncsp3",
    "number_of_minimal_rings",
    "np_likeness",
    "polarity_index",
    "flexibility_index",
    "aromatic_ring_ratio",
    "heteroatom_fraction",
    "volume_density",
    "BertzCT",
    "LabuteASA",
    "TPSA_RDKit",
    "NumAromaticRings_RDKit",
    "NumAliphaticRings",
    "NumSaturatedRings",
    "RingCount",
    "NHOHCount",
    "NOCount",
    "HeavyAtomMolWt",
    "MolLogP_RDKit",
    "MolMR",
    "FractionCSP3_RDKit",
    "NumRotBonds_RDKit",
    "HallKierAlpha",
    "Chi0v",
    "Chi1v",
    "Chi2v"
  ],
  "excluded_annotation_flags": [
    "contains_sugar",
    "contains_ring_sugars",
    "contains_linear_sugars",
    "np_classifier_is_glycoside"
  ],
  "fp_radius": 2,
  "fp_nbits": 2048,
  "model_type": "lightgbm_binary_tabular_plus_morgan",
  "best_iteration": 320,
  "seed": 42
}