variant,ablation_scope,affected_compound,n_compounds,n_positive,n_negative,ROC_AUC,BEDROC_alpha20,minimum_score,maximum_score,metric_basis
raw_automated_no_curated_liability,global baseline/full model,,15,6,9,0.462962962962963,0.736978190677782,0.527556412501425,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
full_curated_liability,global baseline/full model,,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
remove_hepatotoxic_flags,curated-liability flag-category removal,,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
remove_genotoxic_flags,curated-liability flag-category removal,,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
remove_nephrotoxic_flags,curated-liability flag-category removal,,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
remove_chronic_toxicity_flags,curated-liability flag-category removal,,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Ixabepilone,single-compound curated-liability reversion,Ixabepilone,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Topotecan,single-compound curated-liability reversion,Topotecan,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Omacetaxine,single-compound curated-liability reversion,Omacetaxine,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Etoposide,single-compound curated-liability reversion,Etoposide,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Teniposide,single-compound curated-liability reversion,Teniposide,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Midostaurin,single-compound curated-liability reversion,Midostaurin,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Usnic_acid,single-compound curated-liability reversion,Usnic_acid,15,6,9,0.907407407407407,0.806067100340969,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Aristolochic_acid_I,single-compound curated-liability reversion,Aristolochic_acid_I,15,6,9,0.907407407407407,0.806067100340969,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Geldanamycin,single-compound curated-liability reversion,Geldanamycin,15,6,9,0.907407407407407,0.806067100340969,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Senecionine,single-compound curated-liability reversion,Senecionine,15,6,9,0.907407407407407,0.806067100340969,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Lasiocarpine,single-compound curated-liability reversion,Lasiocarpine,15,6,9,0.907407407407407,0.806067100340969,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Retrorsine,single-compound curated-liability reversion,Retrorsine,15,6,9,0.962962962962963,0.996690588936116,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Monocrotaline,single-compound curated-liability reversion,Monocrotaline,15,6,9,0.962962962962963,0.996690588936116,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Illudin_S,single-compound curated-liability reversion,Illudin_S,15,6,9,1,1,0.296666772118718,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
revert_one_compound_to_raw__Aflatoxin_B1,single-compound curated-liability reversion,Aflatoxin_B1,15,6,9,1,1,0.307529122036138,0.971199254259997,Recomputed from the 15-compound variant score vector; RDKit CalcBEDROC alpha=20 with stable descending score order.
