diff options
Diffstat (limited to 'data.yaml')
| -rw-r--r-- | data.yaml | 212 |
1 files changed, 106 insertions, 106 deletions
@@ -1,39 +1,39 @@ --- :cv: mp2d_lazar_all: - :tp: 3327 - :fp: 827 - :tn: 3049 - :fn: 574 - :n: 7777 + :tp: 3329 + :fp: 856 + :tn: 3031 + :fn: 566 + :n: 7782 :acc: 0.82 :tpr: 0.85 - :fpr: 0.21 - :tnr: 0.79 + :fpr: 0.22 + :tnr: 0.78 :ppv: 0.8 :npv: 0.84 :acc_perc: 82 :tpr_perc: 85 - :tnr_perc: 79 + :tnr_perc: 78 :ppv_perc: 80 :npv_perc: 84 mp2d_lazar_high_confidence: - :tp: 2959 - :fp: 639 - :tn: 2302 - :fn: 400 - :n: 6300 + :tp: 2827 + :fp: 579 + :tn: 2107 + :fn: 351 + :n: 5864 :acc: 0.84 - :tpr: 0.88 + :tpr: 0.89 :fpr: 0.22 :tnr: 0.78 - :ppv: 0.82 - :npv: 0.85 + :ppv: 0.83 + :npv: 0.86 :acc_perc: 84 - :tpr_perc: 88 + :tpr_perc: 89 :tnr_perc: 78 - :ppv_perc: 82 - :npv_perc: 85 + :ppv_perc: 83 + :npv_perc: 86 mp2d_rf: :tp: 3196 :fp: 749 @@ -120,39 +120,39 @@ :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 + :tp: 3131 + :fp: 723 + :tn: 2881 + :fn: 618 + :n: 7353 + :acc: 0.82 + :tpr: 0.84 + :fpr: 0.2 + :tnr: 0.8 + :ppv: 0.81 + :npv: 0.82 + :acc_perc: 82 + :tpr_perc: 84 + :tnr_perc: 80 + :ppv_perc: 81 + :npv_perc: 82 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 + :tp: 2294 + :fp: 407 + :tn: 1838 + :fn: 333 + :n: 4872 + :acc: 0.85 + :tpr: 0.87 + :fpr: 0.18 + :tnr: 0.82 + :ppv: 0.85 + :npv: 0.85 + :acc_perc: 85 + :tpr_perc: 87 + :tnr_perc: 82 + :ppv_perc: 85 + :npv_perc: 85 cdk_rf: :tp: 3267 :fp: 568 @@ -295,19 +295,19 @@ :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 + :n: 500 + :mut: 193 + :non_mut: 307 + :n_perc: 83 + :mut_perc: 39 + :non_mut_perc: 61 :cdk_lazar_high_confidence: - :n: 301 - :mut: 76 - :non_mut: 225 - :n_perc: 50 - :mut_perc: 25 - :non_mut_perc: 75 + :n: 246 + :mut: 111 + :non_mut: 135 + :n_perc: 41 + :mut_perc: 45 + :non_mut_perc: 55 :cdk_rf: :n: 602 :mut: 10 @@ -346,64 +346,64 @@ :groups: :Retronecine: :n: 392 - :mut: 629 - :non_mut: 4547 - :n_pred: 5176 - :mut_perc: 12 - :non_mut_perc: 87 + :mut: 762 + :non_mut: 4292 + :n_pred: 5054 + :mut_perc: 15 + :non_mut_perc: 84 :Otonecine: :n: 46 - :mut: 458 - :non_mut: 176 - :n_pred: 634 - :mut_perc: 72 - :non_mut_perc: 27 + :mut: 407 + :non_mut: 216 + :n_pred: 623 + :mut_perc: 65 + :non_mut_perc: 34 :Platynecine: :n: 140 - :mut: 76 - :non_mut: 1588 - :n_pred: 1664 - :mut_perc: 4 - :non_mut_perc: 95 + :mut: 91 + :non_mut: 1579 + :n_pred: 1670 + :mut_perc: 5 + :non_mut_perc: 94 :N_oxide: :n: 84 - :mut: 27 - :non_mut: 1017 - :n_pred: 1044 - :mut_perc: 2 - :non_mut_perc: 97 + :mut: 59 + :non_mut: 993 + :n_pred: 1052 + :mut_perc: 5 + :non_mut_perc: 94 :Dehydropyrrolizidine: :n: 23 - :mut: 54 - :non_mut: 202 - :n_pred: 256 - :mut_perc: 21 - :non_mut_perc: 78 + :mut: 74 + :non_mut: 194 + :n_pred: 268 + :mut_perc: 27 + :non_mut_perc: 72 :Tertiary_PA: :n: 495 - :mut: 1136 - :non_mut: 5306 - :n_pred: 6442 - :mut_perc: 17 - :non_mut_perc: 82 + :mut: 1201 + :non_mut: 5106 + :n_pred: 6307 + :mut_perc: 19 + :non_mut_perc: 80 :Macrocyclic_diester: :n: 255 - :mut: 984 - :non_mut: 2382 - :n_pred: 3366 - :mut_perc: 29 - :non_mut_perc: 70 + :mut: 1042 + :non_mut: 2314 + :n_pred: 3356 + :mut_perc: 31 + :non_mut_perc: 68 :Monoester: :n: 154 - :mut: 45 - :non_mut: 1895 - :n_pred: 1940 + :mut: 52 + :non_mut: 1837 + :n_pred: 1889 :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 + :mut: 206 + :non_mut: 1841 + :n_pred: 2047 + :mut_perc: 10 + :non_mut_perc: 89 |