---
:cv:
  mp2d_lazar_all:
    :tp: 3327
    :fp: 827
    :tn: 3049
    :fn: 574
    :n: 7777
    :acc: 0.82
    :tpr: 0.85
    :fpr: 0.21
    :tnr: 0.79
    :ppv: 0.8
    :npv: 0.84
    :acc_perc: 82
    :tpr_perc: 85
    :tnr_perc: 79
    :ppv_perc: 80
    :npv_perc: 84
  mp2d_lazar_high_confidence:
    :tp: 2959
    :fp: 639
    :tn: 2302
    :fn: 400
    :n: 6300
    :acc: 0.84
    :tpr: 0.88
    :fpr: 0.22
    :tnr: 0.78
    :ppv: 0.82
    :npv: 0.85
    :acc_perc: 84
    :tpr_perc: 88
    :tnr_perc: 78
    :ppv_perc: 82
    :npv_perc: 85
  mp2d_rf:
    :tp: 3196
    :fp: 749
    :tn: 3467
    :fn: 891
    :n: 8303
    :acc: 0.8
    :tpr: 0.78
    :fpr: 0.18
    :tnr: 0.82
    :ppv: 0.81
    :npv: 0.8
    :acc_perc: 80
    :tpr_perc: 78
    :tnr_perc: 82
    :ppv_perc: 81
    :npv_perc: 80
  mp2d_lr:
    :tp: 3409
    :fp: 666
    :tn: 3550
    :fn: 678
    :n: 8303
    :acc: 0.84
    :tpr: 0.83
    :fpr: 0.16
    :tnr: 0.84
    :ppv: 0.84
    :npv: 0.84
    :acc_perc: 84
    :tpr_perc: 83
    :tnr_perc: 84
    :ppv_perc: 84
    :npv_perc: 84
  mp2d_lr2:
    :tp: 3392
    :fp: 647
    :tn: 3569
    :fn: 695
    :n: 8303
    :acc: 0.84
    :tpr: 0.83
    :fpr: 0.15
    :tnr: 0.85
    :ppv: 0.84
    :npv: 0.84
    :acc_perc: 84
    :tpr_perc: 83
    :tnr_perc: 85
    :ppv_perc: 84
    :npv_perc: 84
  mp2d_nn:
    :tp: 3370
    :fp: 623
    :tn: 3593
    :fn: 717
    :n: 8303
    :acc: 0.84
    :tpr: 0.82
    :fpr: 0.15
    :tnr: 0.85
    :ppv: 0.84
    :npv: 0.83
    :acc_perc: 84
    :tpr_perc: 82
    :tnr_perc: 85
    :ppv_perc: 84
    :npv_perc: 83
  mp2d_svm:
    :tp: 3384
    :fp: 599
    :tn: 3617
    :fn: 703
    :n: 8303
    :acc: 0.84
    :tpr: 0.83
    :fpr: 0.14
    :tnr: 0.86
    :ppv: 0.85
    :npv: 0.84
    :acc_perc: 84
    :tpr_perc: 83
    :tnr_perc: 86
    :ppv_perc: 85
    :npv_perc: 84
  cdk_lazar_all:
    :tp: 370
    :fp: 345
    :tn: 54
    :fn: 42
    :n: 811
    :acc: 0.52
    :tpr: 0.9
    :fpr: 0.86
    :tnr: 0.14
    :ppv: 0.52
    :npv: 0.56
    :acc_perc: 52
    :tpr_perc: 90
    :tnr_perc: 14
    :ppv_perc: 52
    :npv_perc: 56
  cdk_lazar_high_confidence:
    :tp: 370
    :fp: 345
    :tn: 54
    :fn: 42
    :n: 811
    :acc: 0.52
    :tpr: 0.9
    :fpr: 0.86
    :tnr: 0.14
    :ppv: 0.52
    :npv: 0.56
    :acc_perc: 52
    :tpr_perc: 90
    :tnr_perc: 14
    :ppv_perc: 52
    :npv_perc: 56
  cdk_rf:
    :tp: 3267
    :fp: 568
    :tn: 3492
    :fn: 750
    :n: 8077
    :acc: 0.84
    :tpr: 0.81
    :fpr: 0.14
    :tnr: 0.86
    :ppv: 0.85
    :npv: 0.82
    :acc_perc: 84
    :tpr_perc: 81
    :tnr_perc: 86
    :ppv_perc: 85
    :npv_perc: 82
  cdk_lr:
    :tp: 3247
    :fp: 887
    :tn: 3173
    :fn: 770
    :n: 8077
    :acc: 0.79
    :tpr: 0.81
    :fpr: 0.22
    :tnr: 0.78
    :ppv: 0.79
    :npv: 0.8
    :acc_perc: 79
    :tpr_perc: 81
    :tnr_perc: 78
    :ppv_perc: 79
    :npv_perc: 80
  cdk_lr2:
    :tp: 3210
    :fp: 803
    :tn: 3257
    :fn: 807
    :n: 8077
    :acc: 0.8
    :tpr: 0.8
    :fpr: 0.2
    :tnr: 0.8
    :ppv: 0.8
    :npv: 0.8
    :acc_perc: 80
    :tpr_perc: 80
    :tnr_perc: 80
    :ppv_perc: 80
    :npv_perc: 80
  cdk_nn:
    :tp: 3414
    :fp: 617
    :tn: 3443
    :fn: 603
    :n: 8077
    :acc: 0.85
    :tpr: 0.85
    :fpr: 0.15
    :tnr: 0.85
    :ppv: 0.85
    :npv: 0.85
    :acc_perc: 85
    :tpr_perc: 85
    :tnr_perc: 85
    :ppv_perc: 85
    :npv_perc: 85
  cdk_svm:
    :tp: 3286
    :fp: 720
    :tn: 3340
    :fn: 731
    :n: 8077
    :acc: 0.82
    :tpr: 0.82
    :fpr: 0.18
    :tnr: 0.82
    :ppv: 0.82
    :npv: 0.82
    :acc_perc: 82
    :tpr_perc: 82
    :tnr_perc: 82
    :ppv_perc: 82
    :npv_perc: 82
  :n: 8309
  :n_uniq: 8290
  :cdk:
    :n_descriptors: 1442
    :n_compounds: 8083
:pa:
  :n: 602
  :mp2d_lazar_all:
    :n: 560
    :mut: 111
    :non_mut: 449
    :n_perc: 93
    :mut_perc: 20
    :non_mut_perc: 80
  :mp2d_lazar_high_confidence:
    :n: 301
    :mut: 76
    :non_mut: 225
    :n_perc: 50
    :mut_perc: 25
    :non_mut_perc: 75
  :mp2d_rf:
    :n: 602
    :mut: 28
    :non_mut: 574
    :n_perc: 100
    :mut_perc: 5
    :non_mut_perc: 95
  :mp2d_lr:
    :n: 602
    :mut: 127
    :non_mut: 475
    :n_perc: 100
    :mut_perc: 21
    :non_mut_perc: 79
  :mp2d_lr2:
    :n: 602
    :mut: 118
    :non_mut: 484
    :n_perc: 100
    :mut_perc: 20
    :non_mut_perc: 80
  :mp2d_nn:
    :n: 602
    :mut: 124
    :non_mut: 478
    :n_perc: 100
    :mut_perc: 21
    :non_mut_perc: 79
  :mp2d_svm:
    :n: 602
    :mut: 82
    :non_mut: 520
    :n_perc: 100
    :mut_perc: 14
    :non_mut_perc: 86
  :cdk_lazar_all:
    :n: 560
    :mut: 111
    :non_mut: 449
    :n_perc: 93
    :mut_perc: 20
    :non_mut_perc: 80
  :cdk_lazar_high_confidence:
    :n: 301
    :mut: 76
    :non_mut: 225
    :n_perc: 50
    :mut_perc: 25
    :non_mut_perc: 75
  :cdk_rf:
    :n: 602
    :mut: 10
    :non_mut: 592
    :n_perc: 100
    :mut_perc: 2
    :non_mut_perc: 98
  :cdk_lr:
    :n: 602
    :mut: 97
    :non_mut: 505
    :n_perc: 100
    :mut_perc: 16
    :non_mut_perc: 84
  :cdk_lr2:
    :n: 602
    :mut: 88
    :non_mut: 514
    :n_perc: 100
    :mut_perc: 15
    :non_mut_perc: 85
  :cdk_nn:
    :n: 602
    :mut: 150
    :non_mut: 452
    :n_perc: 100
    :mut_perc: 25
    :non_mut_perc: 75
  :cdk_svm:
    :n: 602
    :mut: 19
    :non_mut: 583
    :n_perc: 100
    :mut_perc: 3
    :non_mut_perc: 97
  :groups:
    :Retronecine:
      :n: 392
      :mut: 629
      :non_mut: 4547
      :n_pred: 5176
      :mut_perc: 12
      :non_mut_perc: 87
    :Otonecine:
      :n: 46
      :mut: 458
      :non_mut: 176
      :n_pred: 634
      :mut_perc: 72
      :non_mut_perc: 27
    :Platynecine:
      :n: 140
      :mut: 76
      :non_mut: 1588
      :n_pred: 1664
      :mut_perc: 4
      :non_mut_perc: 95
    :N_oxide:
      :n: 84
      :mut: 27
      :non_mut: 1017
      :n_pred: 1044
      :mut_perc: 2
      :non_mut_perc: 97
    :Dehydropyrrolizidine:
      :n: 23
      :mut: 54
      :non_mut: 202
      :n_pred: 256
      :mut_perc: 21
      :non_mut_perc: 78
    :Tertiary_PA:
      :n: 495
      :mut: 1136
      :non_mut: 5306
      :n_pred: 6442
      :mut_perc: 17
      :non_mut_perc: 82
    :Macrocyclic_diester:
      :n: 255
      :mut: 984
      :non_mut: 2382
      :n_pred: 3366
      :mut_perc: 29
      :non_mut_perc: 70
    :Monoester:
      :n: 154
      :mut: 45
      :non_mut: 1895
      :n_pred: 1940
      :mut_perc: 2
      :non_mut_perc: 97
    :Diester:
      :n: 163
      :mut: 155
      :non_mut: 1927
      :n_pred: 2082
      :mut_perc: 7
      :non_mut_perc: 92