ML/MLoutput9.txt

AILDRvN
mean_test_score [0.92390808 0.92390808 0.9235863  0.9236394  0.92365546 0.92365546
 0.92365546 0.92365546 0.92371246 0.92371246 0.92371246 0.92371246
 0.92424021 0.92424021 0.92424021 0.92424021 0.92860548 0.92860548
 0.92854044 0.92846244 0.92837326 0.92837326 0.92837326 0.92837326
 0.92822797 0.92822797 0.92822797 0.92822797 0.92765566 0.92765566
 0.92765566 0.92765566 0.93150203 0.93150203 0.93147938 0.9316468
 0.93121303 0.93121303 0.93121303 0.93121303 0.9308101  0.9308101
 0.9308101  0.9308101  0.9303935  0.9303935  0.9303935  0.9303935
 0.93403149 0.93403149 0.9338295  0.93360253 0.9329499  0.9329499
 0.9329499  0.9329499  0.93224123 0.93224123 0.93224123 0.93224123
 0.9306774  0.9306774  0.9306774  0.9306774  0.93805369 0.93805369
 0.93762097 0.93807161 0.93635508 0.93635508 0.93635508 0.93635508
 0.93368099 0.93368099 0.93368099 0.93368099 0.93157314 0.93157314
 0.93157314 0.93157314]
mean_std_score [0.03266496 0.03266496 0.03272052 0.03262523 0.03285817 0.03285817
 0.03285817 0.03285817 0.03237544 0.03237544 0.03237544 0.03237544
 0.03169736 0.03169736 0.03169736 0.03169736 0.03098239 0.03098239
 0.03123153 0.03133839 0.03119879 0.03119879 0.03119879 0.03119879
 0.03112389 0.03112389 0.03112389 0.03112389 0.03093322 0.03093322
 0.03093322 0.03093322 0.030693   0.030693   0.03088092 0.03105775
 0.03046356 0.03046356 0.03046356 0.03046356 0.0308446  0.0308446
 0.0308446  0.0308446  0.03037797 0.03037797 0.03037797 0.03037797
 0.03017925 0.03017925 0.03014916 0.02999871 0.02940829 0.02940829
 0.02940829 0.02940829 0.02925611 0.02925611 0.02925611 0.02925611
 0.02965388 0.02965388 0.02965388 0.02965388 0.02841337 0.02841337
 0.02876866 0.02878358 0.02849993 0.02849993 0.02849993 0.02849993
 0.0287805  0.0287805  0.0287805  0.0287805  0.03009766 0.03009766
 0.03009766 0.03009766]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.94 0.6 0.93 0.96 0.9 0.77
STD 0.002 0.01 0.002 0.001 0.003 0.008
Number of act mutations in the train set: 883
Number of deact mutations in the train set: 147
########################
           Feature  Importance
11       metazoa_0    0.057002
9     eukaryotes_0    0.049688
8           bpsh_0    0.044723
5   specParalogs_0    0.042890
10       mammals_0    0.041850
3    allHomologs_0    0.036158
6      orthologs_0    0.034722
12   vertebrates_0    0.029487
2         p_0_pfam    0.024238
13      D_A_0_pfam    0.023874
7           bpso_0    0.023828
14      D_D_0_pfam    0.021408
4   exclParalogs_0    0.018191
1              p_0    0.017519
0       hmmScoreWT    0.017469
15      D_N_0_pfam    0.017270
########################
activatingresistance results ( 14 )
REC: 0.929
########################
P00533/EGFR/T790M 0.66 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.136 A
P11309/PIM1/S97N 0.347 A
########################
Q00535/CDK5/F82I 0.763 TBD
Q02750/MAP2K1/V211D 0.835 TBD
########################
O96017/CHEK2/K373E 0.684 Inconclusive
P06493/CDK1/V124G 0.739 Inconclusive
P46734/MAP2K3/R94L 0.649 Inconclusive
P46734/MAP2K3/R96W 0.632 Inconclusive
P46734/MAP2K3/L215W 0.663 Inconclusive
P46734/MAP2K3/T222M 0.949 Inconclusive
P11309/PIM1/Q127E 0.486 Inconclusive
Q06418/TYRO3/V669L 0.457 Inconclusive
Q13470/TNK1/A299D 0.284 Inconclusive
########################
########################
########################
REC: neutral 0.939
########################
REC: loss 0.995
########################
REC: decrease 0.888
ALRvN
mean_test_score [0.95263845 0.95263845 0.95256487 0.95255254 0.95198947 0.95198947
 0.95198947 0.95198947 0.95189788 0.95189788 0.95189788 0.95189788
 0.9504895  0.9504895  0.9504895  0.9504895  0.9572372  0.9572372
 0.95687978 0.95697845 0.95577585 0.95577585 0.95577585 0.95577585
 0.95444864 0.95444864 0.95444864 0.95444864 0.95310744 0.95310744
 0.95310744 0.95310744 0.9588547  0.9588547  0.95867566 0.95847446
 0.95738717 0.95738717 0.95738717 0.95738717 0.95580923 0.95580923
 0.95580923 0.95580923 0.95340385 0.95340385 0.95340385 0.95340385
 0.96196701 0.96196701 0.96195827 0.96145138 0.95922052 0.95922052
 0.95922052 0.95922052 0.95736682 0.95736682 0.95736682 0.95736682
 0.95407859 0.95407859 0.95407859 0.95407859 0.96476374 0.96476374
 0.96412989 0.96478449 0.95993871 0.95993871 0.95993871 0.95993871
 0.9570278  0.9570278  0.9570278  0.9570278  0.95387645 0.95387645
 0.95387645 0.95387645]
mean_std_score [0.02054434 0.02054434 0.02049326 0.02087634 0.02092991 0.02092991
 0.02092991 0.02092991 0.02038335 0.02038335 0.02038335 0.02038335
 0.02092041 0.02092041 0.02092041 0.02092041 0.01915423 0.01915423
 0.01904877 0.01906519 0.01918043 0.01918043 0.01918043 0.01918043
 0.01948732 0.01948732 0.01948732 0.01948732 0.0199554  0.0199554
 0.0199554  0.0199554  0.01949245 0.01949245 0.01927205 0.01955168
 0.0193695  0.0193695  0.0193695  0.0193695  0.0192598  0.0192598
 0.0192598  0.0192598  0.02026777 0.02026777 0.02026777 0.02026777
 0.01855257 0.01855257 0.01852545 0.0186556  0.01895841 0.01895841
 0.01895841 0.01895841 0.01920222 0.01920222 0.01920222 0.01920222
 0.02006852 0.02006852 0.02006852 0.02006852 0.01805511 0.01805511
 0.01825945 0.01852631 0.01881381 0.01881381 0.01881381 0.01881381
 0.01907766 0.01907766 0.01907766 0.01907766 0.0206795  0.0206795
 0.0206795  0.0206795 ]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.96 0.72 0.93 0.96 0.91 0.85
STD 0.003 0.013 0.003 0.004 0.004 0.016
Number of act mutations in the train set: 554
Number of deact mutations in the train set: 147
########################
           Feature  Importance
8     eukaryotes_0    0.051297
7           bpsh_0    0.050254
10       metazoa_0    0.049663
3    allHomologs_0    0.046720
4   specParalogs_0    0.044388
12      D_A_0_pfam    0.041264
5      orthologs_0    0.033846
9        mammals_0    0.029579
6           bpso_0    0.024216
0       hmmScoreWT    0.021840
11   vertebrates_0    0.019474
15      D_N_0_pfam    0.019117
2         p_0_pfam    0.018052
1      hmmScoreMUT    0.015953
14      D_E_0_pfam    0.015644
16      D_H_2_pfam    0.015146
13      D_D_0_pfam    0.015064
########################
activatingresistance results ( 14 )
REC: 0.857
########################
P00533/EGFR/T790M 0.598 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.086 A
P11309/PIM1/S97N 0.191 A
########################
Q00535/CDK5/F82I 0.736 TBD
Q02750/MAP2K1/V211D 0.778 TBD
########################
O96017/CHEK2/K373E 0.609 Inconclusive
P06493/CDK1/V124G 0.677 Inconclusive
P46734/MAP2K3/R94L 0.521 Inconclusive
P46734/MAP2K3/R96W 0.599 Inconclusive
P46734/MAP2K3/L215W 0.62 Inconclusive
P46734/MAP2K3/T222M 0.909 Inconclusive
P11309/PIM1/Q127E 0.442 Inconclusive
Q06418/TYRO3/V669L 0.32 Inconclusive
Q13470/TNK1/A299D 0.185 Inconclusive
########################
########################
########################
REC: neutral 0.973
########################
REC: loss 0.975
########################
REC: decrease 0.747
AILDvN
mean_test_score [0.93177786 0.93177786 0.9316931  0.9317319  0.9317752  0.9317752
 0.9317752  0.9317752  0.93175666 0.93175666 0.93175666 0.93175666
 0.93192436 0.93192436 0.93192436 0.93192436 0.9366632  0.9366632
 0.93651447 0.93604021 0.93636177 0.93636177 0.93636177 0.93636177
 0.93591952 0.93591952 0.93591952 0.93591952 0.93505966 0.93505966
 0.93505966 0.93505966 0.93815062 0.93815062 0.9379632  0.93856536
 0.93891109 0.93891109 0.93891109 0.93891109 0.93884781 0.93884781
 0.93884781 0.93884781 0.93732234 0.93732234 0.93732234 0.93732234
 0.93960616 0.93960616 0.93982261 0.93976285 0.93908481 0.93908481
 0.93908481 0.93908481 0.93803575 0.93803575 0.93803575 0.93803575
 0.93666732 0.93666732 0.93666732 0.93666732 0.94214524 0.94214524
 0.94195582 0.94252404 0.94177358 0.94177358 0.94177358 0.94177358
 0.94015663 0.94015663 0.94015663 0.94015663 0.93749864 0.93749864
 0.93749864 0.93749864]
mean_std_score [0.02592683 0.02592683 0.02594138 0.02585175 0.02591176 0.02591176
 0.02591176 0.02591176 0.02635492 0.02635492 0.02635492 0.02635492
 0.02615093 0.02615093 0.02615093 0.02615093 0.02464725 0.02464725
 0.02471092 0.02483072 0.02442588 0.02442588 0.02442588 0.02442588
 0.02513811 0.02513811 0.02513811 0.02513811 0.02542747 0.02542747
 0.02542747 0.02542747 0.02452564 0.02452564 0.02437211 0.02461546
 0.02455619 0.02455619 0.02455619 0.02455619 0.02429437 0.02429437
 0.02429437 0.02429437 0.0252291  0.0252291  0.0252291  0.0252291
 0.02426923 0.02426923 0.02439659 0.02464405 0.02458219 0.02458219
 0.02458219 0.02458219 0.02501905 0.02501905 0.02501905 0.02501905
 0.02561512 0.02561512 0.02561512 0.02561512 0.02427611 0.02427611
 0.02364057 0.02371122 0.02359141 0.02359141 0.02359141 0.02359141
 0.0243144  0.0243144  0.0243144  0.0243144  0.02567342 0.02567342
 0.02567342 0.02567342]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.94 0.6 0.93 0.96 0.9 0.78
STD 0.002 0.013 0.003 0.001 0.006 0.005
Number of act mutations in the train set: 811
Number of deact mutations in the train set: 147
########################
           Feature  Importance
10    eukaryotes_0    0.061089
12       metazoa_0    0.055877
11       mammals_0    0.047929
13      D_A_0_pfam    0.040034
9           bpsh_0    0.036730
4    allHomologs_0    0.035343
7      orthologs_0    0.034030
6   specParalogs_0    0.033876
8           bpso_0    0.033721
3         p_0_pfam    0.028991
14      D_E_0_pfam    0.023769
0       hmmScoreWT    0.019689
1      hmmScoreMUT    0.017989
2              p_0    0.017156
5   exclParalogs_0    0.015462
########################
activatingresistance results ( 14 )
REC: 0.786
########################
P00533/EGFR/T790M 0.378 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.139 A
P11309/PIM1/S97N 0.329 A
########################
Q00535/CDK5/F82I 0.692 TBD
Q02750/MAP2K1/V211D 0.788 TBD
########################
O96017/CHEK2/K373E 0.713 Inconclusive
P06493/CDK1/V124G 0.719 Inconclusive
P46734/MAP2K3/R94L 0.59 Inconclusive
P46734/MAP2K3/R96W 0.642 Inconclusive
P46734/MAP2K3/L215W 0.666 Inconclusive
P46734/MAP2K3/T222M 0.944 Inconclusive
P11309/PIM1/Q127E 0.338 Inconclusive
Q06418/TYRO3/V669L 0.417 Inconclusive
Q13470/TNK1/A299D 0.252 Inconclusive
########################
########################
########################
REC: neutral 0.959
########################
REC: loss 0.988
########################
REC: decrease 0.858
ALvN
mean_test_score [0.96647969 0.96647969 0.96617985 0.9662255  0.96577753 0.96577753
 0.96577753 0.96577753 0.96546198 0.96546198 0.96546198 0.96546198
 0.96461528 0.96461528 0.96461528 0.96461528 0.9683078  0.9683078
 0.96821431 0.96809639 0.9676482  0.9676482  0.9676482  0.9676482
 0.96670321 0.96670321 0.96670321 0.96670321 0.96598542 0.96598542
 0.96598542 0.96598542 0.96974342 0.96974342 0.96977081 0.97007706
 0.96905614 0.96905614 0.96905614 0.96905614 0.96776468 0.96776468
 0.96776468 0.96776468 0.96677085 0.96677085 0.96677085 0.96677085
 0.97062073 0.97062073 0.97059157 0.97063269 0.96919457 0.96919457
 0.96919457 0.96919457 0.9678648  0.9678648  0.9678648  0.9678648
 0.96683655 0.96683655 0.96683655 0.96683655 0.97194691 0.97194691
 0.97181177 0.97169133 0.96990976 0.96990976 0.96990976 0.96990976
 0.96832252 0.96832252 0.96832252 0.96832252 0.96712219 0.96712219
 0.96712219 0.96712219]
mean_std_score [0.01795237 0.01795237 0.0180998  0.01796837 0.01828956 0.01828956
 0.01828956 0.01828956 0.01853029 0.01853029 0.01853029 0.01853029
 0.01897505 0.01897505 0.01897505 0.01897505 0.01744371 0.01744371
 0.01763259 0.01795481 0.01788188 0.01788188 0.01788188 0.01788188
 0.01787914 0.01787914 0.01787914 0.01787914 0.01829141 0.01829141
 0.01829141 0.01829141 0.01716564 0.01716564 0.01722118 0.01700599
 0.01716441 0.01716441 0.01716441 0.01716441 0.01771052 0.01771052
 0.01771052 0.01771052 0.01765459 0.01765459 0.01765459 0.01765459
 0.01649265 0.01649265 0.01655121 0.01661218 0.01709385 0.01709385
 0.01709385 0.01709385 0.01681602 0.01681602 0.01681602 0.01681602
 0.01757513 0.01757513 0.01757513 0.01757513 0.0163338  0.0163338
 0.01669182 0.01669306 0.01659606 0.01659606 0.01659606 0.01659606
 0.01658697 0.01658697 0.01658697 0.01658697 0.01753974 0.01753974
 0.01753974 0.01753974]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.97 0.78 0.94 0.97 0.92 0.9
STD 0.001 0.013 0.003 0.004 0.004 0.013
Number of act mutations in the train set: 482
Number of deact mutations in the train set: 147
########################
           Feature  Importance
13      D_A_0_pfam    0.048620
11       metazoa_0    0.048081
6      orthologs_0    0.047463
5   specParalogs_0    0.044587
9     eukaryotes_0    0.044270
8           bpsh_0    0.035650
14      D_E_0_pfam    0.034777
4    allHomologs_0    0.031341
10       mammals_0    0.025451
0       hmmScoreWT    0.024064
7           bpso_0    0.023075
3         p_0_pfam    0.021051
15      D_N_0_pfam    0.020786
1      hmmScoreMUT    0.020169
12   vertebrates_0    0.018309
16      D_S_0_pfam    0.016450
2              p_0    0.016430
########################
activatingresistance results ( 14 )
REC: 0.714
########################
P00533/EGFR/T790M 0.344 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.089 A
P11309/PIM1/S97N 0.116 A
########################
Q00535/CDK5/F82I 0.609 TBD
Q02750/MAP2K1/V211D 0.674 TBD
########################
O96017/CHEK2/K373E 0.671 Inconclusive
P06493/CDK1/V124G 0.675 Inconclusive
P46734/MAP2K3/R94L 0.41 Inconclusive
P46734/MAP2K3/R96W 0.486 Inconclusive
P46734/MAP2K3/L215W 0.619 Inconclusive
P46734/MAP2K3/T222M 0.935 Inconclusive
P11309/PIM1/Q127E 0.254 Inconclusive
Q06418/TYRO3/V669L 0.257 Inconclusive
Q13470/TNK1/A299D 0.167 Inconclusive
########################
########################
########################
REC: neutral 0.986
########################
REC: loss 0.97
########################
REC: decrease 0.67
AIvNLD
mean_test_score [0.82114463 0.82114463 0.8211086  0.82020404 0.82040514 0.82040514
 0.82040514 0.82040514 0.8195827  0.8195827  0.8195827  0.8195827
 0.81765146 0.81765146 0.81765146 0.81765146 0.83907994 0.83907994
 0.83980644 0.83952698 0.84035256 0.84035256 0.84035256 0.84035256
 0.83816993 0.83816993 0.83816993 0.83816993 0.83524845 0.83524845
 0.83524845 0.83524845 0.84915619 0.84915619 0.85009008 0.84975029
 0.85089702 0.85089702 0.85089702 0.85089702 0.8506251  0.8506251
 0.8506251  0.8506251  0.84819046 0.84819046 0.84819046 0.84819046
 0.86149217 0.86149217 0.86247549 0.86050737 0.85967551 0.85967551
 0.85967551 0.85967551 0.86044746 0.86044746 0.86044746 0.86044746
 0.85628959 0.85628959 0.85628959 0.85628959 0.86900348 0.86900348
 0.86985001 0.87158748 0.86855748 0.86855748 0.86855748 0.86855748
 0.86782219 0.86782219 0.86782219 0.86782219 0.86326337 0.86326337
 0.86326337 0.86326337]
mean_std_score [0.05715896 0.05715896 0.05726923 0.05683214 0.05791854 0.05791854
 0.05791854 0.05791854 0.05769823 0.05769823 0.05769823 0.05769823
 0.05830516 0.05830516 0.05830516 0.05830516 0.05604797 0.05604797
 0.05568834 0.05417041 0.05461579 0.05461579 0.05461579 0.05461579
 0.05358365 0.05358365 0.05358365 0.05358365 0.05650571 0.05650571
 0.05650571 0.05650571 0.05469996 0.05469996 0.05454576 0.05388755
 0.05359647 0.05359647 0.05359647 0.05359647 0.05356534 0.05356534
 0.05356534 0.05356534 0.05472234 0.05472234 0.05472234 0.05472234
 0.05010866 0.05010866 0.0486909  0.05011855 0.0500176  0.0500176
 0.0500176  0.0500176  0.04910716 0.04910716 0.04910716 0.04910716
 0.05140784 0.05140784 0.05140784 0.05140784 0.04775591 0.04775591
 0.04752832 0.04793244 0.04731569 0.04731569 0.04731569 0.04731569
 0.04630061 0.04630061 0.04630061 0.04630061 0.04928009 0.04928009
 0.04928009 0.04928009]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.87 0.48 0.58 0.51 0.68 0.85
STD 0.003 0.017 0.013 0.012 0.016 0.004
Number of act mutations in the train set: 178
Number of deact mutations in the train set: 780
########################
           Feature  Importance
0       hmmScoreWT    0.034636
12      D_N_0_pfam    0.032684
1      hmmScoreMUT    0.026403
2     Phosphomimic    0.024797
6           bpsh_0    0.019160
7        mammals_0    0.018201
10      D_D_0_pfam    0.017599
11      D_I_0_pfam    0.017347
3       ChargesMUT    0.017235
4      ChargesDiff    0.017022
9       D_A_0_pfam    0.016873
5   exclParalogs_0    0.015726
8    vertebrates_0    0.015517
########################
activatingresistance results ( 14 )
REC: 0.857
########################
P00533/EGFR/T790M 0.472 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.474 A
P11309/PIM1/S97N 0.398 A
########################
Q00535/CDK5/F82I 0.547 TBD
Q02750/MAP2K1/V211D 0.57 TBD
########################
O96017/CHEK2/K373E 0.621 Inconclusive
P06493/CDK1/V124G 0.333 Inconclusive
P46734/MAP2K3/R94L 0.517 Inconclusive
P46734/MAP2K3/R96W 0.365 Inconclusive
P46734/MAP2K3/L215W 0.511 Inconclusive
P46734/MAP2K3/T222M 0.422 Inconclusive
P11309/PIM1/Q127E 0.537 Inconclusive
Q06418/TYRO3/V669L 0.459 Inconclusive
Q13470/TNK1/A299D 0.562 Inconclusive
########################
########################
########################
REC: neutral 0.837
########################
REC: loss 0.96
########################
REC: decrease 0.824
AvN
mean_test_score [0.90979563 0.90979563 0.91011706 0.90910913 0.90820833 0.90820833
 0.90820833 0.90820833 0.90525    0.90525    0.90525    0.90525
 0.90009524 0.90009524 0.90009524 0.90009524 0.91386111 0.91386111
 0.91426786 0.91395635 0.90961111 0.90961111 0.90961111 0.90961111
 0.9046131  0.9046131  0.9046131  0.9046131  0.90161111 0.90161111
 0.90161111 0.90161111 0.91407738 0.91407738 0.91432738 0.91372222
 0.908375   0.908375   0.908375   0.908375   0.90393849 0.90393849
 0.90393849 0.90393849 0.90122024 0.90122024 0.90122024 0.90122024
 0.91795635 0.91795635 0.91688889 0.91696032 0.91023214 0.91023214
 0.91023214 0.91023214 0.90477579 0.90477579 0.90477579 0.90477579
 0.90139683 0.90139683 0.90139683 0.90139683 0.9195496  0.9195496
 0.91835714 0.91759524 0.91023214 0.91023214 0.91023214 0.91023214
 0.90477183 0.90477183 0.90477183 0.90477183 0.90139683 0.90139683
 0.90139683 0.90139683]
mean_std_score [0.06643085 0.06643085 0.06516526 0.0666904  0.06711214 0.06711214
 0.06711214 0.06711214 0.0685892  0.0685892  0.0685892  0.0685892
 0.06872635 0.06872635 0.06872635 0.06872635 0.06419432 0.06419432
 0.06398182 0.06225966 0.06537434 0.06537434 0.06537434 0.06537434
 0.06900041 0.06900041 0.06900041 0.06900041 0.06857952 0.06857952
 0.06857952 0.06857952 0.06439622 0.06439622 0.06384948 0.06227581
 0.06479952 0.06479952 0.06479952 0.06479952 0.06873054 0.06873054
 0.06873054 0.06873054 0.06957267 0.06957267 0.06957267 0.06957267
 0.06290584 0.06290584 0.06334177 0.063311   0.06343349 0.06343349
 0.06343349 0.06343349 0.06812676 0.06812676 0.06812676 0.06812676
 0.06896087 0.06896087 0.06896087 0.06896087 0.06247141 0.06247141
 0.06273708 0.06440914 0.06366375 0.06366375 0.06366375 0.06366375
 0.06774845 0.06774845 0.06774845 0.06774845 0.06896087 0.06896087
 0.06896087 0.06896087]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.92 0.69 0.78 0.84 0.75 0.92
STD 0.005 0.021 0.015 0.022 0.017 0.013
Number of act mutations in the train set: 82
Number of deact mutations in the train set: 147
########################
           Feature  Importance
5           bpso_0    0.046713
12      A_E_0_pfam    0.046567
7     eukaryotes_0    0.046079
8        mammals_0    0.044336
9        metazoa_0    0.040915
4      orthologs_0    0.037045
2    allHomologs_0    0.031856
6           bpsh_0    0.029825
3   specParalogs_0    0.024973
0       hmmScoreWT    0.024850
11      A_D_0_pfam    0.023522
13      A_S_0_pfam    0.021543
1        ac_0_pfam    0.018813
10   vertebrates_0    0.016305
########################
activatingresistance results ( 14 )
REC: 0.857
########################
P00533/EGFR/T790M 0.29 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.188 A
P11309/PIM1/S97N 0.18 A
########################
Q00535/CDK5/F82I 0.582 TBD
Q02750/MAP2K1/V211D 0.609 TBD
########################
O96017/CHEK2/K373E 0.675 Inconclusive
P06493/CDK1/V124G 0.528 Inconclusive
P46734/MAP2K3/R94L 0.464 Inconclusive
P46734/MAP2K3/R96W 0.445 Inconclusive
P46734/MAP2K3/L215W 0.549 Inconclusive
P46734/MAP2K3/T222M 0.794 Inconclusive
P11309/PIM1/Q127E 0.326 Inconclusive
Q06418/TYRO3/V669L 0.337 Inconclusive
Q13470/TNK1/A299D 0.247 Inconclusive
########################
########################
########################
REC: neutral 0.98
########################
REC: loss 0.882
########################
REC: decrease 0.549
AIvN
mean_test_score [0.87962963 0.87962963 0.87975008 0.88034952 0.87936352 0.87936352
 0.87936352 0.87936352 0.87932384 0.87932384 0.87932384 0.87932384
 0.87641628 0.87641628 0.87641628 0.87641628 0.88345969 0.88345969
 0.88287691 0.88331808 0.8831718  0.8831718  0.8831718  0.8831718
 0.88072611 0.88072611 0.88072611 0.88072611 0.87683147 0.87683147
 0.87683147 0.87683147 0.88899424 0.88899424 0.88926377 0.8896122
 0.88558123 0.88558123 0.88558123 0.88558123 0.8834835  0.8834835
 0.8834835  0.8834835  0.87779054 0.87779054 0.87779054 0.87779054
 0.89121289 0.89121289 0.89043231 0.89044709 0.88406022 0.88406022
 0.88406022 0.88406022 0.88132369 0.88132369 0.88132369 0.88132369
 0.87680937 0.87680937 0.87680937 0.87680937 0.89362418 0.89362418
 0.89445098 0.89513477 0.88545176 0.88545176 0.88545176 0.88545176
 0.88144444 0.88144444 0.88144444 0.88144444 0.87708232 0.87708232
 0.87708232 0.87708232]
mean_std_score [0.06234962 0.06234962 0.06236678 0.06169338 0.06177821 0.06177821
 0.06177821 0.06177821 0.06194013 0.06194013 0.06194013 0.06194013
 0.06396107 0.06396107 0.06396107 0.06396107 0.06277639 0.06277639
 0.06271047 0.06280992 0.06185193 0.06185193 0.06185193 0.06185193
 0.06406187 0.06406187 0.06406187 0.06406187 0.064476   0.064476
 0.064476   0.064476   0.06046053 0.06046053 0.06151623 0.06079265
 0.06227788 0.06227788 0.06227788 0.06227788 0.06463984 0.06463984
 0.06463984 0.06463984 0.06429398 0.06429398 0.06429398 0.06429398
 0.06037353 0.06037353 0.06166578 0.06069149 0.06327604 0.06327604
 0.06327604 0.06327604 0.06648048 0.06648048 0.06648048 0.06648048
 0.06487647 0.06487647 0.06487647 0.06487647 0.05929246 0.05929246
 0.06085584 0.06106507 0.06413621 0.06413621 0.06413621 0.06413621
 0.06738417 0.06738417 0.06738417 0.06738417 0.06498653 0.06498653
 0.06498653 0.06498653]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.9 0.6 0.81 0.83 0.81 0.79
STD 0.006 0.007 0.004 0.005 0.007 0.008
Number of act mutations in the train set: 178
Number of deact mutations in the train set: 147
########################
           Feature  Importance
11       metazoa_0    0.057138
10       mammals_0    0.053514
6      orthologs_0    0.044286
9     eukaryotes_0    0.043025
2         p_0_pfam    0.038580
5   specParalogs_0    0.035490
8           bpsh_0    0.031281
4    allHomologs_0    0.026518
12   vertebrates_0    0.025645
1              p_0    0.024858
13      A_E_0_pfam    0.024715
7           bpso_0    0.024259
0       hmmScoreWT    0.017369
3        ub_0_pfam    0.016405
########################
activatingresistance results ( 14 )
REC: 0.929
########################
P00533/EGFR/T790M 0.409 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.149 A
P11309/PIM1/S97N 0.285 A
########################
Q00535/CDK5/F82I 0.63 TBD
Q02750/MAP2K1/V211D 0.785 TBD
########################
O96017/CHEK2/K373E 0.747 Inconclusive
P06493/CDK1/V124G 0.532 Inconclusive
P46734/MAP2K3/R94L 0.585 Inconclusive
P46734/MAP2K3/R96W 0.563 Inconclusive
P46734/MAP2K3/L215W 0.655 Inconclusive
P46734/MAP2K3/T222M 0.791 Inconclusive
P11309/PIM1/Q127E 0.433 Inconclusive
Q06418/TYRO3/V669L 0.399 Inconclusive
Q13470/TNK1/A299D 0.326 Inconclusive
########################
########################
########################
REC: neutral 0.959
########################
REC: loss 0.965
########################
REC: decrease 0.794
AIvLD
mean_test_score [0.86347938 0.86347938 0.86318898 0.86180053 0.86257428 0.86257428
 0.86257428 0.86257428 0.86271996 0.86271996 0.86271996 0.86271996
 0.86148728 0.86148728 0.86148728 0.86148728 0.87115543 0.87115543
 0.87008597 0.87162368 0.87222801 0.87222801 0.87222801 0.87222801
 0.87334475 0.87334475 0.87334475 0.87334475 0.87147901 0.87147901
 0.87147901 0.87147901 0.87916821 0.87916821 0.87887836 0.87895272
 0.87996204 0.87996204 0.87996204 0.87996204 0.87946353 0.87946353
 0.87946353 0.87946353 0.87639833 0.87639833 0.87639833 0.87639833
 0.88787839 0.88787839 0.88822634 0.88731059 0.88712494 0.88712494
 0.88712494 0.88712494 0.88576155 0.88576155 0.88576155 0.88576155
 0.88368874 0.88368874 0.88368874 0.88368874 0.89416763 0.89416763
 0.89400632 0.89295555 0.89335537 0.89335537 0.89335537 0.89335537
 0.89130323 0.89130323 0.89130323 0.89130323 0.88701185 0.88701185
 0.88701185 0.88701185]
mean_std_score [0.04622449 0.04622449 0.04633567 0.04668608 0.0474546  0.0474546
 0.0474546  0.0474546  0.047416   0.047416   0.047416   0.047416
 0.04676383 0.04676383 0.04676383 0.04676383 0.04486513 0.04486513
 0.04473389 0.04558558 0.04487542 0.04487542 0.04487542 0.04487542
 0.04618271 0.04618271 0.04618271 0.04618271 0.04534837 0.04534837
 0.04534837 0.04534837 0.04248529 0.04248529 0.04319803 0.04292818
 0.04214409 0.04214409 0.04214409 0.04214409 0.04420986 0.04420986
 0.04420986 0.04420986 0.04434405 0.04434405 0.04434405 0.04434405
 0.04063796 0.04063796 0.04063894 0.04028635 0.04123825 0.04123825
 0.04123825 0.04123825 0.04154853 0.04154853 0.04154853 0.04154853
 0.04205954 0.04205954 0.04205954 0.04205954 0.03976309 0.03976309
 0.03981036 0.0398548  0.04010075 0.04010075 0.04010075 0.04010075
 0.04113367 0.04113367 0.04113367 0.04113367 0.04091843 0.04091843
 0.04091843 0.04091843]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.89 0.53 0.63 0.53 0.81 0.79
STD 0.005 0.014 0.01 0.008 0.02 0.005
Number of act mutations in the train set: 178
Number of deact mutations in the train set: 633
########################
           Feature  Importance
11      D_N_0_pfam    0.039479
0       hmmScoreWT    0.036676
6           bpsh_0    0.030381
8       D_D_0_pfam    0.029263
3    allHomologs_0    0.021554
12      A_Y_1_pfam    0.020571
1      hmmScoreMUT    0.020546
5      orthologs_0    0.018964
7       D_A_0_pfam    0.018751
2            A_MUT    0.017933
13      D_H_2_pfam    0.016845
9       D_I_0_pfam    0.016370
10      D_K_0_pfam    0.016191
4   specParalogs_0    0.015829
########################
activatingresistance results ( 14 )
REC: 0.929
########################
P00533/EGFR/T790M 0.596 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.639 A
P11309/PIM1/S97N 0.519 A
########################
Q00535/CDK5/F82I 0.582 TBD
Q02750/MAP2K1/V211D 0.531 TBD
########################
O96017/CHEK2/K373E 0.649 Inconclusive
P06493/CDK1/V124G 0.333 Inconclusive
P46734/MAP2K3/R94L 0.558 Inconclusive
P46734/MAP2K3/R96W 0.375 Inconclusive
P46734/MAP2K3/L215W 0.501 Inconclusive
P46734/MAP2K3/T222M 0.427 Inconclusive
P11309/PIM1/Q127E 0.648 Inconclusive
Q06418/TYRO3/V669L 0.499 Inconclusive
Q13470/TNK1/A299D 0.7 Inconclusive
########################
########################
########################
REC: neutral 0.925
########################
REC: loss 0.928
########################
REC: decrease 0.631
AvNL
mean_test_score [0.87596086 0.87596086 0.87600753 0.87532449 0.8735997  0.8735997
 0.8735997  0.8735997  0.87122059 0.87122059 0.87122059 0.87122059
 0.86816737 0.86816737 0.86816737 0.86816737 0.88565568 0.88565568
 0.88725753 0.88632351 0.88380406 0.88380406 0.88380406 0.88380406
 0.8812941  0.8812941  0.8812941  0.8812941  0.87828961 0.87828961
 0.87828961 0.87828961 0.8975282  0.8975282  0.89747056 0.8955105
 0.89202897 0.89202897 0.89202897 0.89202897 0.89008048 0.89008048
 0.89008048 0.89008048 0.8831224  0.8831224  0.8831224  0.8831224
 0.91088396 0.91088396 0.90931231 0.90885129 0.90515231 0.90515231
 0.90515231 0.90515231 0.90071516 0.90071516 0.90071516 0.90071516
 0.89189216 0.89189216 0.89189216 0.89189216 0.91794608 0.91794608
 0.91806093 0.91701267 0.90917946 0.90917946 0.90917946 0.90917946
 0.90521879 0.90521879 0.90521879 0.90521879 0.8946214  0.8946214
 0.8946214  0.8946214 ]
mean_std_score [0.05941446 0.05941446 0.05955326 0.06061338 0.06095576 0.06095576
 0.06095576 0.06095576 0.06015368 0.06015368 0.06015368 0.06015368
 0.05929894 0.05929894 0.05929894 0.05929894 0.05788527 0.05788527
 0.05751111 0.05705076 0.05822649 0.05822649 0.05822649 0.05822649
 0.05757951 0.05757951 0.05757951 0.05757951 0.05846774 0.05846774
 0.05846774 0.05846774 0.05428414 0.05428414 0.05543597 0.05431596
 0.05512235 0.05512235 0.05512235 0.05512235 0.0547304  0.0547304
 0.0547304  0.0547304  0.05718954 0.05718954 0.05718954 0.05718954
 0.05215203 0.05215203 0.05193034 0.05063805 0.0533554  0.0533554
 0.0533554  0.0533554  0.05497804 0.05497804 0.05497804 0.05497804
 0.05777265 0.05777265 0.05777265 0.05777265 0.0502726  0.0502726
 0.04821692 0.04925407 0.05245306 0.05245306 0.05245306 0.05245306
 0.05391003 0.05391003 0.05391003 0.05391003 0.05569262 0.05569262
 0.05569262 0.05569262]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 7, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.92 0.61 0.64 0.7 0.63 0.95
STD 0.006 0.019 0.016 0.033 0.011 0.005
Number of act mutations in the train set: 82
Number of deact mutations in the train set: 547
########################
           Feature  Importance
11      D_N_0_pfam    0.029748
0       hmmScoreWT    0.029150
10      A_E_0_pfam    0.026706
2     Phosphomimic    0.024452
12      D_H_2_pfam    0.018240
9       A_D_0_pfam    0.018209
8    vertebrates_0    0.017176
6        mammals_0    0.016170
1      hmmScoreMUT    0.016150
3   specParalogs_0    0.015975
5           bpsh_0    0.015667
4      orthologs_0    0.015626
7        metazoa_0    0.015407
########################
activatingresistance results ( 14 )
REC: 0.786
########################
P00533/EGFR/T790M 0.421 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.359 A
P11309/PIM1/S97N 0.358 A
########################
Q00535/CDK5/F82I 0.55 TBD
Q02750/MAP2K1/V211D 0.553 TBD
########################
O96017/CHEK2/K373E 0.546 Inconclusive
P06493/CDK1/V124G 0.322 Inconclusive
P46734/MAP2K3/R94L 0.45 Inconclusive
P46734/MAP2K3/R96W 0.306 Inconclusive
P46734/MAP2K3/L215W 0.449 Inconclusive
P46734/MAP2K3/T222M 0.471 Inconclusive
P11309/PIM1/Q127E 0.375 Inconclusive
Q06418/TYRO3/V669L 0.323 Inconclusive
Q13470/TNK1/A299D 0.438 Inconclusive
########################
########################
########################
REC: neutral 0.993
########################
REC: loss 0.972
########################
REC: decrease 0.12
AvL
mean_test_score [0.93027431 0.93027431 0.92951042 0.9295625  0.92987847 0.92987847
 0.92987847 0.92987847 0.92892708 0.92892708 0.92892708 0.92892708
 0.93401042 0.93401042 0.93401042 0.93401042 0.93948611 0.93948611
 0.93957292 0.94007639 0.93819618 0.93819618 0.93819618 0.93819618
 0.93762847 0.93762847 0.93762847 0.93762847 0.93892014 0.93892014
 0.93892014 0.93892014 0.94573958 0.94573958 0.94622569 0.94482292
 0.94393403 0.94393403 0.94393403 0.94393403 0.94235764 0.94235764
 0.94235764 0.94235764 0.94228819 0.94228819 0.94228819 0.94228819
 0.95037847 0.95037847 0.94927083 0.94844792 0.9465625  0.9465625
 0.9465625  0.9465625  0.94566319 0.94566319 0.94566319 0.94566319
 0.94404861 0.94404861 0.94404861 0.94404861 0.95326389 0.95326389
 0.95285069 0.95264583 0.94940799 0.94940799 0.94940799 0.94940799
 0.94790278 0.94790278 0.94790278 0.94790278 0.94505556 0.94505556
 0.94505556 0.94505556]
mean_std_score [0.0452027  0.0452027  0.04498954 0.0442399  0.0434162  0.0434162
 0.0434162  0.0434162  0.04397911 0.04397911 0.04397911 0.04397911
 0.04245687 0.04245687 0.04245687 0.04245687 0.04126225 0.04126225
 0.04215399 0.04096867 0.04211266 0.04211266 0.04211266 0.04211266
 0.04208834 0.04208834 0.04208834 0.04208834 0.04101381 0.04101381
 0.04101381 0.04101381 0.03963982 0.03963982 0.03982597 0.04023837
 0.04127321 0.04127321 0.04127321 0.04127321 0.041759   0.041759
 0.041759   0.041759   0.04092839 0.04092839 0.04092839 0.04092839
 0.04067391 0.04067391 0.04081522 0.04184716 0.04142533 0.04142533
 0.04142533 0.04142533 0.04250271 0.04250271 0.04250271 0.04250271
 0.04180489 0.04180489 0.04180489 0.04180489 0.0388318  0.0388318
 0.03792898 0.03898972 0.04005042 0.04005042 0.04005042 0.04005042
 0.04174082 0.04174082 0.04174082 0.04174082 0.04168249 0.04168249
 0.04168249 0.04168249]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.95 0.67 0.72 0.62 0.87 0.88
STD 0.004 0.023 0.018 0.02 0.02 0.008
Number of act mutations in the train set: 82
Number of deact mutations in the train set: 400
########################
         Feature  Importance
0     hmmScoreWT    0.042693
13    D_N_0_pfam    0.031214
10    D_A_0_pfam    0.029674
1    hmmScoreMUT    0.029045
7         bpsh_0    0.025693
14    D_H_2_pfam    0.021144
4          A_MUT    0.020807
2   Phosphomimic    0.018955
8   eukaryotes_0    0.016973
5    orthologs_0    0.016924
11    D_E_0_pfam    0.016204
6         bpso_0    0.015971
3            sec    0.015666
9     A_Q_0_pfam    0.015146
12    D_I_0_pfam    0.015012
########################
activatingresistance results ( 14 )
REC: 0.929
########################
P00533/EGFR/T790M 0.643 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.699 A
P11309/PIM1/S97N 0.658 A
########################
Q00535/CDK5/F82I 0.497 TBD
Q02750/MAP2K1/V211D 0.46 TBD
########################
O96017/CHEK2/K373E 0.677 Inconclusive
P06493/CDK1/V124G 0.303 Inconclusive
P46734/MAP2K3/R94L 0.541 Inconclusive
P46734/MAP2K3/R96W 0.47 Inconclusive
P46734/MAP2K3/L215W 0.461 Inconclusive
P46734/MAP2K3/T222M 0.44 Inconclusive
P11309/PIM1/Q127E 0.646 Inconclusive
Q06418/TYRO3/V669L 0.494 Inconclusive
Q13470/TNK1/A299D 0.769 Inconclusive
########################
########################
########################
REC: neutral 0.959
########################
REC: loss 0.92
########################
REC: decrease 0.459
LDvNAI
mean_test_score [0.87947772 0.87947772 0.87953278 0.87970505 0.8787953  0.8787953
 0.8787953  0.8787953  0.87821892 0.87821892 0.87821892 0.87821892
 0.87706681 0.87706681 0.87706681 0.87706681 0.88700814 0.88700814
 0.8874597  0.88766775 0.88757402 0.88757402 0.88757402 0.88757402
 0.88712579 0.88712579 0.88712579 0.88712579 0.8856452  0.8856452
 0.8856452  0.8856452  0.88937392 0.88937392 0.88998251 0.88994212
 0.88996767 0.88996767 0.88996767 0.88996767 0.89008239 0.89008239
 0.89008239 0.89008239 0.88830699 0.88830699 0.88830699 0.88830699
 0.89915044 0.89915044 0.89982877 0.89930921 0.89777794 0.89777794
 0.89777794 0.89777794 0.89655096 0.89655096 0.89655096 0.89655096
 0.89326447 0.89326447 0.89326447 0.89326447 0.90635801 0.90635801
 0.90636691 0.90696297 0.90285464 0.90285464 0.90285464 0.90285464
 0.90129687 0.90129687 0.90129687 0.90129687 0.89655253 0.89655253
 0.89655253 0.89655253]
mean_std_score [0.03279288 0.03279288 0.03276796 0.03292905 0.03255241 0.03255241
 0.03255241 0.03255241 0.03241185 0.03241185 0.03241185 0.03241185
 0.03273791 0.03273791 0.03273791 0.03273791 0.0291192  0.0291192
 0.02905563 0.02966553 0.02928127 0.02928127 0.02928127 0.02928127
 0.02923543 0.02923543 0.02923543 0.02923543 0.03047127 0.03047127
 0.03047127 0.03047127 0.0296509  0.0296509  0.02902785 0.02957324
 0.02877457 0.02877457 0.02877457 0.02877457 0.0288441  0.0288441
 0.0288441  0.0288441  0.02946315 0.02946315 0.02946315 0.02946315
 0.02721086 0.02721086 0.02727124 0.0275039  0.02755855 0.02755855
 0.02755855 0.02755855 0.02763917 0.02763917 0.02763917 0.02763917
 0.02877809 0.02877809 0.02877809 0.02877809 0.02592054 0.02592054
 0.0251294  0.02531985 0.02689243 0.02689243 0.02689243 0.02689243
 0.0272316  0.0272316  0.0272316  0.0272316  0.02805643 0.02805643
 0.02805643 0.02805643]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 10, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.91 0.61 0.84 0.92 0.78 0.86
STD 0.002 0.01 0.005 0.005 0.006 0.008
Number of act mutations in the train set: 633
Number of deact mutations in the train set: 325
########################
           Feature  Importance
0       hmmScoreWT    0.045894
7           bpso_0    0.033593
8           bpsh_0    0.033145
3    allHomologs_0    0.031995
12      D_A_0_pfam    0.031380
14      D_N_0_pfam    0.029453
1      hmmScoreMUT    0.027669
9     eukaryotes_0    0.026938
11       metazoa_0    0.026315
10       mammals_0    0.023570
6      orthologs_0    0.019350
13      D_I_0_pfam    0.019307
5   specParalogs_0    0.018339
15      D_Q_0_pfam    0.016243
2            A_MUT    0.015515
16      A_H_1_pfam    0.015333
4   exclParalogs_0    0.015208
########################
activatingresistance results ( 14 )
REC: 0.071
########################
P00533/EGFR/T790M 0.331 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.134 A
P11309/PIM1/S97N 0.401 A
########################
Q00535/CDK5/F82I 0.46 TBD
Q02750/MAP2K1/V211D 0.536 TBD
########################
O96017/CHEK2/K373E 0.408 Inconclusive
P06493/CDK1/V124G 0.652 Inconclusive
P46734/MAP2K3/R94L 0.423 Inconclusive
P46734/MAP2K3/R96W 0.558 Inconclusive
P46734/MAP2K3/L215W 0.493 Inconclusive
P46734/MAP2K3/T222M 0.671 Inconclusive
P11309/PIM1/Q127E 0.278 Inconclusive
Q06418/TYRO3/V669L 0.415 Inconclusive
Q13470/TNK1/A299D 0.189 Inconclusive
########################
########################
########################
REC: neutral 0.986
########################
REC: loss 0.938
########################
REC: decrease 0.682
LvNA
mean_test_score [0.9467332  0.9467332  0.9467337  0.94634684 0.94603014 0.94603014
 0.94603014 0.94603014 0.94591403 0.94591403 0.94591403 0.94591403
 0.94569466 0.94569466 0.94569466 0.94569466 0.95278557 0.95278557
 0.95294022 0.95276976 0.95236759 0.95236759 0.95236759 0.95236759
 0.95130632 0.95130632 0.95130632 0.95130632 0.94903014 0.94903014
 0.94903014 0.94903014 0.95514526 0.95514526 0.95492194 0.95492638
 0.95501235 0.95501235 0.95501235 0.95501235 0.95327668 0.95327668
 0.95327668 0.95327668 0.95127619 0.95127619 0.95127619 0.95127619
 0.95913241 0.95913241 0.9592085  0.95891008 0.95791403 0.95791403
 0.95791403 0.95791403 0.95576433 0.95576433 0.95576433 0.95576433
 0.9533918  0.9533918  0.9533918  0.9533918  0.96233696 0.96233696
 0.96198468 0.96207213 0.96009486 0.96009486 0.96009486 0.96009486
 0.95716996 0.95716996 0.95716996 0.95716996 0.95417243 0.95417243
 0.95417243 0.95417243]
mean_std_score [0.02813917 0.02813917 0.02806756 0.02810719 0.02738496 0.02738496
 0.02738496 0.02738496 0.02695958 0.02695958 0.02695958 0.02695958
 0.02713937 0.02713937 0.02713937 0.02713937 0.02502158 0.02502158
 0.02496736 0.02509573 0.02463951 0.02463951 0.02463951 0.02463951
 0.02549781 0.02549781 0.02549781 0.02549781 0.02657251 0.02657251
 0.02657251 0.02657251 0.02466767 0.02466767 0.02421827 0.0243534
 0.02420218 0.02420218 0.02420218 0.02420218 0.02477099 0.02477099
 0.02477099 0.02477099 0.02613331 0.02613331 0.02613331 0.02613331
 0.02280541 0.02280541 0.0226208  0.0227351  0.02307979 0.02307979
 0.02307979 0.02307979 0.02384461 0.02384461 0.02384461 0.02384461
 0.02499638 0.02499638 0.02499638 0.02499638 0.02149601 0.02149601
 0.02123281 0.02094399 0.02163765 0.02163765 0.02163765 0.02163765
 0.02347861 0.02347861 0.02347861 0.02347861 0.02465907 0.02465907
 0.02465907 0.02465907]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.96 0.78 0.91 0.96 0.87 0.93
STD 0.002 0.01 0.005 0.002 0.008 0.004
Number of act mutations in the train set: 400
Number of deact mutations in the train set: 229
########################
           Feature  Importance
4      orthologs_0    0.042273
6           bpsh_0    0.038478
0       hmmScoreWT    0.038126
9        metazoa_0    0.037803
10      D_A_0_pfam    0.036600
7     eukaryotes_0    0.034750
12      D_E_0_pfam    0.031561
3   specParalogs_0    0.028935
1      hmmScoreMUT    0.026623
16      D_H_2_pfam    0.026369
14      D_N_0_pfam    0.025144
5           bpso_0    0.018529
13      D_I_0_pfam    0.018248
2    allHomologs_0    0.017680
11      D_D_0_pfam    0.017170
15      A_Y_1_pfam    0.016225
8        mammals_0    0.015372
########################
activatingresistance results ( 14 )
REC: 0.071
########################
P00533/EGFR/T790M 0.245 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.076 A
P11309/PIM1/S97N 0.142 A
########################
Q00535/CDK5/F82I 0.389 TBD
Q02750/MAP2K1/V211D 0.561 TBD
########################
O96017/CHEK2/K373E 0.34 Inconclusive
P06493/CDK1/V124G 0.63 Inconclusive
P46734/MAP2K3/R94L 0.392 Inconclusive
P46734/MAP2K3/R96W 0.435 Inconclusive
P46734/MAP2K3/L215W 0.404 Inconclusive
P46734/MAP2K3/T222M 0.576 Inconclusive
P11309/PIM1/Q127E 0.192 Inconclusive
Q06418/TYRO3/V669L 0.226 Inconclusive
Q13470/TNK1/A299D 0.092 Inconclusive
########################
########################
########################
REC: neutral 0.986
########################
REC: loss 0.9
########################
REC: decrease 0.455
LDvN
mean_test_score [0.95089087 0.95089087 0.95074215 0.9505205  0.95066328 0.95066328
 0.95066328 0.95066328 0.95072487 0.95072487 0.95072487 0.95072487
 0.95053555 0.95053555 0.95053555 0.95053555 0.95324967 0.95324967
 0.95337607 0.95310689 0.95353175 0.95353175 0.95353175 0.95353175
 0.95287988 0.95287988 0.95287988 0.95287988 0.95139294 0.95139294
 0.95139294 0.95139294 0.95522073 0.95522073 0.95554861 0.95572288
 0.9551732  0.9551732  0.9551732  0.9551732  0.95479803 0.95479803
 0.95479803 0.95479803 0.95310789 0.95310789 0.95310789 0.95310789
 0.95599843 0.95599843 0.95613583 0.95562649 0.95558168 0.95558168
 0.95558168 0.95558168 0.95513128 0.95513128 0.95513128 0.95513128
 0.95315427 0.95315427 0.95315427 0.95315427 0.95823074 0.95823074
 0.95782531 0.95753439 0.95639724 0.95639724 0.95639724 0.95639724
 0.95568056 0.95568056 0.95568056 0.95568056 0.95375207 0.95375207
 0.95375207 0.95375207]
mean_std_score [0.02339003 0.02339003 0.02376744 0.02385102 0.0238575  0.0238575
 0.0238575  0.0238575  0.02368024 0.02368024 0.02368024 0.02368024
 0.02384769 0.02384769 0.02384769 0.02384769 0.02271149 0.02271149
 0.02307724 0.02312676 0.02285736 0.02285736 0.02285736 0.02285736
 0.02299432 0.02299432 0.02299432 0.02299432 0.0240225  0.0240225
 0.0240225  0.0240225  0.02254774 0.02254774 0.02248087 0.02274539
 0.0229037  0.0229037  0.0229037  0.0229037  0.02284906 0.02284906
 0.02284906 0.02284906 0.02388102 0.02388102 0.02388102 0.02388102
 0.02215236 0.02215236 0.02248847 0.02257447 0.02228689 0.02228689
 0.02228689 0.02228689 0.02290186 0.02290186 0.02290186 0.02290186
 0.0231575  0.0231575  0.0231575  0.0231575  0.02107361 0.02107361
 0.0213789  0.02246356 0.02219585 0.02219585 0.02219585 0.02219585
 0.02269264 0.02269264 0.02269264 0.02269264 0.02337945 0.02337945
 0.02337945 0.02337945]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.96 0.69 0.93 0.96 0.91 0.83
STD 0.002 0.012 0.003 0.003 0.004 0.012
Number of act mutations in the train set: 633
Number of deact mutations in the train set: 147
########################
           Feature  Importance
10       mammals_0    0.047103
9     eukaryotes_0    0.047013
8           bpsh_0    0.042033
3    allHomologs_0    0.040797
13      D_A_0_pfam    0.040349
7           bpso_0    0.039365
6      orthologs_0    0.038580
11       metazoa_0    0.038094
5   specParalogs_0    0.029272
2         p_0_pfam    0.029057
0       hmmScoreWT    0.028722
14      D_D_0_pfam    0.025490
1      hmmScoreMUT    0.022529
4   exclParalogs_0    0.020551
12   vertebrates_0    0.019722
15      D_E_0_pfam    0.017462
16      D_N_0_pfam    0.016775
########################
activatingresistance results ( 14 )
REC: 0.5
########################
P00533/EGFR/T790M 0.327 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.133 A
P11309/PIM1/S97N 0.34 A
########################
Q00535/CDK5/F82I 0.643 TBD
Q02750/MAP2K1/V211D 0.776 TBD
########################
O96017/CHEK2/K373E 0.728 Inconclusive
P06493/CDK1/V124G 0.763 Inconclusive
P46734/MAP2K3/R94L 0.504 Inconclusive
P46734/MAP2K3/R96W 0.593 Inconclusive
P46734/MAP2K3/L215W 0.593 Inconclusive
P46734/MAP2K3/T222M 0.92 Inconclusive
P11309/PIM1/Q127E 0.356 Inconclusive
Q06418/TYRO3/V669L 0.356 Inconclusive
Q13470/TNK1/A299D 0.194 Inconclusive
########################
########################
P07333/CSF1R/D802V 0.652 activating
P06493/CDK1/Y15F 0.656 activating
P31749/AKT1/T308D 0.978 activating
P11802/CDK4/R24C 0.61 activating
P21802/FGFR2/E565G 0.682 activating
P21802/FGFR2/K526E 0.259 activating
P21802/FGFR2/K659N 0.596 activating
Q15303/ERBB4/I947R 0.463 activating
Q9UM73/ALK/R1275Q 0.793 activating
Q8TDC3/BRSK1/T189E 0.969 activating
Q8IW41/MAPKAPK5/T182D 0.973 activating
P08581/MET/H1094L 0.522 activating
P08581/MET/H1094Y 0.418 activating
P08581/MET/H1106D 0.459 activating
P08581/MET/V1092I 0.332 activating
P08581/MET/Y1230D 0.744 activating
P08581/MET/N1100Y 0.183 activating
Q96GD4/AURKB/K215Q 0.656 activating
P22607/FGFR3/K650D 0.727 activating
P22607/FGFR3/K650E 0.599 activating
P22607/FGFR3/K650L 0.679 activating
P22607/FGFR3/K650M 0.703 activating
P22607/FGFR3/K650Q 0.547 activating
Q15139/PRKD1/R603H 0.535 activating
P36888/FLT3/D835E 0.459 activating
P36888/FLT3/D835N 0.438 activating
P43405/SYK/M450I 0.294 activating
P43405/SYK/S550F 0.626 activating
P43405/SYK/S550Y 0.614 activating
P29317/EPHA2/R721Q 0.219 activating
P00533/EGFR/G719S 0.719 activating
P00533/EGFR/L858R [0.25583367 0.74416633] 1 activating
P00533/EGFR/L858R 0.744 activating
P00533/EGFR/L861Q 0.5 activating
P00533/EGFR/S768I 0.658 activating
P11362/FGFR1/K656E 0.548 activating
Q9P0L2/MARK1/T215E 0.977 activating
P53778/MAPK12/D179A 0.542 activating
P15056/BRAF/V600F 0.384 activating
P15056/BRAF/V600K 0.472 activating
Q14680/MELK/T167E 0.977 activating
O96013/PAK4/S445N 0.533 activating
Q8IY84/NIM1K/T229E 0.926 activating
P10721/KIT/D816F 0.682 activating
P10721/KIT/D816I 0.699 activating
P10721/KIT/D816Y 0.626 activating
P10721/KIT/N822I 0.609 activating
P10721/KIT/D816V 0.653 activating
P10721/KIT/Y823F 0.894 activating
Q5S007/LRRK2/G2019S 0.783 activating
O15111/CHUK/S176E 0.817 activating
Q96GX5/MASTL/K72M 0.348 activating
O60674/JAK2/R867Q 0.391 activating
P46734/MAP2K3/S218E 0.699 activating
P46734/MAP2K3/T222E 0.927 activating
P50750/CDK9/S175A 0.566 activating
P50750/CDK9/T186D 0.892 activating
P50750/CDK9/K48R 0.993 activating
P52564/MAP2K6/S207E 0.694 activating
P52564/MAP2K6/T211E 0.919 activating
Q13418/ILK/S343D 0.666 activating
O14965/AURKA/V174M 0.2 activating
O14965/AURKA/T287E 0.707 activating
P17612/PRKACA/L206R 0.562 activating
P16234/PDGFRA/D842Y 0.638 activating
P16234/PDGFRA/H650Q 0.535 activating
P16234/PDGFRA/N659K 0.359 activating
P16234/PDGFRA/N659S 0.409 activating
P16234/PDGFRA/R748G 0.135 activating
P16234/PDGFRA/Y849S 0.892 activating
P09619/PDGFRB/V665A 0.516 activating
P09619/PDGFRB/N666H 0.256 activating
O14920/IKBKB/S177E 0.823 activating
O14920/IKBKB/S181E 0.958 activating
Q8IWQ3/BRSK2/T174E 0.978 activating
O00444/PLK4/T170D 0.978 activating
Q9BXA7/TSSK1B/T174E 0.922 activating
P07949/RET/G894S 0.805 activating
P07949/RET/V778I 0.078 activating
P04049/RAF1/T491D 0.846 activating
P04049/RAF1/S494D 0.471 activating
Q9H0K1/SIK2/T175E 0.973 activating
Q13153/PAK1/T423E 0.977 activating
########################
REC: neutral 0.966
########################
REC: loss 0.98
########################
REC: decrease 0.828
LvN
mean_test_score [0.98161071 0.98161071 0.98156071 0.98150833 0.98123333 0.98123333
 0.98123333 0.98123333 0.98116548 0.98116548 0.98116548 0.98116548
 0.98057738 0.98057738 0.98057738 0.98057738 0.98166667 0.98166667
 0.98182262 0.98167262 0.98173452 0.98173452 0.98173452 0.98173452
 0.98114286 0.98114286 0.98114286 0.98114286 0.98073214 0.98073214
 0.98073214 0.98073214 0.98212024 0.98212024 0.98229286 0.98247976
 0.98186429 0.98186429 0.98186429 0.98186429 0.98187143 0.98187143
 0.98187143 0.98187143 0.9814881  0.9814881  0.9814881  0.9814881
 0.98308095 0.98308095 0.98303452 0.9829869  0.98245    0.98245
 0.98245    0.98245    0.98178214 0.98178214 0.98178214 0.98178214
 0.98139405 0.98139405 0.98139405 0.98139405 0.98368214 0.98368214
 0.98369286 0.98329881 0.98252738 0.98252738 0.98252738 0.98252738
 0.98211905 0.98211905 0.98211905 0.98211905 0.98130595 0.98130595
 0.98130595 0.98130595]
mean_std_score [0.01356643 0.01356643 0.01374121 0.01371928 0.01422525 0.01422525
 0.01422525 0.01422525 0.01426973 0.01426973 0.01426973 0.01426973
 0.01434135 0.01434135 0.01434135 0.01434135 0.01385263 0.01385263
 0.01404015 0.01390469 0.01396863 0.01396863 0.01396863 0.01396863
 0.01431512 0.01431512 0.01431512 0.01431512 0.01397834 0.01397834
 0.01397834 0.01397834 0.01348067 0.01348067 0.01381399 0.01383686
 0.01444407 0.01444407 0.01444407 0.01444407 0.01439689 0.01439689
 0.01439689 0.01439689 0.01382381 0.01382381 0.01382381 0.01382381
 0.01383311 0.01383311 0.01386017 0.01389451 0.01424502 0.01424502
 0.01424502 0.01424502 0.01444808 0.01444808 0.01444808 0.01444808
 0.01377154 0.01377154 0.01377154 0.01377154 0.01368271 0.01368271
 0.01363088 0.01394786 0.01436309 0.01436309 0.01436309 0.01436309
 0.01438082 0.01438082 0.01438082 0.01438082 0.01391195 0.01391195
 0.01391195 0.01391195]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 7, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.98 0.84 0.95 0.98 0.93 0.94
STD 0.002 0.014 0.005 0.002 0.008 0.006
Number of act mutations in the train set: 400
Number of deact mutations in the train set: 147
########################
           Feature  Importance
6           bpso_0    0.052462
10       metazoa_0    0.049256
7           bpsh_0    0.046206
0       hmmScoreWT    0.042815
12      D_A_0_pfam    0.042491
8     eukaryotes_0    0.042383
3    allHomologs_0    0.037157
4   specParalogs_0    0.037084
5      orthologs_0    0.029504
9        mammals_0    0.024286
13      D_D_0_pfam    0.021238
2         p_0_pfam    0.020669
14      D_E_0_pfam    0.020377
16      D_H_2_pfam    0.020341
1      hmmScoreMUT    0.019856
11   vertebrates_0    0.016572
17      R_P_2_pfam    0.016491
15      D_Q_0_pfam    0.015514
########################
activatingresistance results ( 14 )
REC: 0.357
########################
P00533/EGFR/T790M 0.275 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.079 A
P11309/PIM1/S97N 0.128 A
########################
Q00535/CDK5/F82I 0.532 TBD
Q02750/MAP2K1/V211D 0.64 TBD
########################
O96017/CHEK2/K373E 0.425 Inconclusive
P06493/CDK1/V124G 0.695 Inconclusive
P46734/MAP2K3/R94L 0.398 Inconclusive
P46734/MAP2K3/R96W 0.496 Inconclusive
P46734/MAP2K3/L215W 0.607 Inconclusive
P46734/MAP2K3/T222M 0.887 Inconclusive
P11309/PIM1/Q127E 0.197 Inconclusive
Q06418/TYRO3/V669L 0.263 Inconclusive
Q13470/TNK1/A299D 0.1 Inconclusive
########################
########################
P07333/CSF1R/D802V 0.546 activating
P06493/CDK1/Y15F 0.485 activating
P31749/AKT1/T308D 0.968 activating
P11802/CDK4/R24C 0.531 activating
P21802/FGFR2/E565G 0.601 activating
P21802/FGFR2/K526E 0.132 activating
P21802/FGFR2/K659N 0.442 activating
Q15303/ERBB4/I947R 0.351 activating
Q9UM73/ALK/R1275Q 0.655 activating
Q8TDC3/BRSK1/T189E 0.977 activating
Q8IW41/MAPKAPK5/T182D 0.931 activating
P08581/MET/H1094L 0.442 activating
P08581/MET/H1094Y 0.292 activating
P08581/MET/H1106D 0.252 activating
P08581/MET/V1092I 0.244 activating
P08581/MET/Y1230D 0.682 activating
P08581/MET/N1100Y 0.102 activating
Q96GD4/AURKB/K215Q 0.592 activating
P22607/FGFR3/K650D 0.611 activating
P22607/FGFR3/K650E 0.432 activating
P22607/FGFR3/K650L 0.664 activating
P22607/FGFR3/K650M 0.668 activating
P22607/FGFR3/K650Q 0.346 activating
Q15139/PRKD1/R603H 0.477 activating
P36888/FLT3/D835E 0.313 activating
P36888/FLT3/D835N 0.351 activating
P43405/SYK/M450I 0.246 activating
P43405/SYK/S550F 0.508 activating
P43405/SYK/S550Y 0.558 activating
P29317/EPHA2/R721Q 0.127 activating
P00533/EGFR/G719S 0.642 activating
P00533/EGFR/L858R [0.32700941 0.67299059] 1 activating
P00533/EGFR/L858R 0.673 activating
P00533/EGFR/L861Q 0.363 activating
P00533/EGFR/S768I 0.557 activating
P11362/FGFR1/K656E 0.374 activating
Q9P0L2/MARK1/T215E 0.977 activating
P53778/MAPK12/D179A 0.454 activating
P15056/BRAF/V600F 0.275 activating
P15056/BRAF/V600K 0.348 activating
Q14680/MELK/T167E 0.982 activating
O96013/PAK4/S445N 0.476 activating
Q8IY84/NIM1K/T229E 0.917 activating
P10721/KIT/D816F 0.608 activating
P10721/KIT/D816I 0.594 activating
P10721/KIT/D816Y 0.57 activating
P10721/KIT/N822I 0.392 activating
P10721/KIT/D816V 0.54 activating
P10721/KIT/Y823F 0.758 activating
Q5S007/LRRK2/G2019S 0.739 activating
O15111/CHUK/S176E 0.694 activating
Q96GX5/MASTL/K72M 0.241 activating
O60674/JAK2/R867Q 0.259 activating
P46734/MAP2K3/S218E 0.603 activating
P46734/MAP2K3/T222E 0.882 activating
P50750/CDK9/S175A 0.446 activating
P50750/CDK9/T186D 0.886 activating
P50750/CDK9/K48R 0.967 activating
P52564/MAP2K6/S207E 0.622 activating
P52564/MAP2K6/T211E 0.88 activating
Q13418/ILK/S343D 0.467 activating
O14965/AURKA/V174M 0.071 activating
O14965/AURKA/T287E 0.578 activating
P17612/PRKACA/L206R 0.499 activating
P16234/PDGFRA/D842Y 0.567 activating
P16234/PDGFRA/H650Q 0.394 activating
P16234/PDGFRA/N659K 0.155 activating
P16234/PDGFRA/N659S 0.291 activating
P16234/PDGFRA/R748G 0.067 activating
P16234/PDGFRA/Y849S 0.867 activating
P09619/PDGFRB/V665A 0.592 activating
P09619/PDGFRB/N666H 0.163 activating
O14920/IKBKB/S177E 0.738 activating
O14920/IKBKB/S181E 0.95 activating
Q8IWQ3/BRSK2/T174E 0.983 activating
O00444/PLK4/T170D 0.971 activating
Q9BXA7/TSSK1B/T174E 0.916 activating
P07949/RET/G894S 0.751 activating
P07949/RET/V778I 0.05 activating
P04049/RAF1/T491D 0.72 activating
P04049/RAF1/S494D 0.391 activating
Q9H0K1/SIK2/T175E 0.964 activating
Q13153/PAK1/T423E 0.976 activating
########################
REC: neutral 0.98
########################
REC: loss 0.952
########################
REC: decrease 0.639
RvN
mean_test_score [0.93133163 0.93133163 0.9315051  0.93052551 0.91526786 0.91526786
 0.91526786 0.91526786 0.89892602 0.89892602 0.89892602 0.89892602
 0.88227721 0.88227721 0.88227721 0.88227721 0.93385969 0.93385969
 0.93320663 0.93323895 0.91878827 0.91878827 0.91878827 0.91878827
 0.89583759 0.89583759 0.89583759 0.89583759 0.87893027 0.87893027
 0.87893027 0.87893027 0.93466071 0.93466071 0.9352551  0.93635629
 0.91867347 0.91867347 0.91867347 0.91867347 0.89558844 0.89558844
 0.89558844 0.89558844 0.87935204 0.87935204 0.87935204 0.87935204
 0.93643367 0.93643367 0.93790136 0.93711224 0.9158835  0.9158835
 0.9158835  0.9158835  0.89520323 0.89520323 0.89520323 0.89520323
 0.87899065 0.87899065 0.87899065 0.87899065 0.93808503 0.93808503
 0.93891412 0.93794643 0.91544643 0.91544643 0.91544643 0.91544643
 0.89491667 0.89491667 0.89491667 0.89491667 0.87899065 0.87899065
 0.87899065 0.87899065]
mean_std_score [0.05135856 0.05135856 0.05065779 0.0502717  0.05704176 0.05704176
 0.05704176 0.05704176 0.06294297 0.06294297 0.06294297 0.06294297
 0.06711495 0.06711495 0.06711495 0.06711495 0.04826767 0.04826767
 0.04954797 0.04911776 0.05691948 0.05691948 0.05691948 0.05691948
 0.06473514 0.06473514 0.06473514 0.06473514 0.06872822 0.06872822
 0.06872822 0.06872822 0.0504473  0.0504473  0.04917427 0.04817177
 0.05608983 0.05608983 0.05608983 0.05608983 0.06604335 0.06604335
 0.06604335 0.06604335 0.06742278 0.06742278 0.06742278 0.06742278
 0.0498839  0.0498839  0.04947611 0.04866751 0.05986487 0.05986487
 0.05986487 0.05986487 0.06582364 0.06582364 0.06582364 0.06582364
 0.06731403 0.06731403 0.06731403 0.06731403 0.04893148 0.04893148
 0.04908471 0.04937814 0.05862603 0.05862603 0.05862603 0.05862603
 0.06529709 0.06529709 0.06529709 0.06529709 0.06731403 0.06731403
 0.06731403 0.06731403]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model: {'criterion': 'gini', 'max_depth': 10, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 7, 'n_estimators': 100}
---------------------------------------------------------------------------------------------------
Stratified CV results
MET AUC  MCC  F1   PRE  REC  SPE
AVG 0.93 0.69 0.79 0.78 0.82 0.87
STD 0.007 0.019 0.011 0.014 0.015 0.007
Number of act mutations in the train set: 72
Number of deact mutations in the train set: 147
########################
           Feature  Importance
9        mammals_0    0.053262
10       metazoa_0    0.045550
7           bpsh_0    0.037217
8     eukaryotes_0    0.037009
11   vertebrates_0    0.036517
6           bpso_0    0.035424
5      orthologs_0    0.034961
14      R_V_0_pfam    0.028947
0       hmmScoreWT    0.025400
4   specParalogs_0    0.024657
1         ATPcount    0.022105
3   exclParalogs_0    0.018762
2    allHomologs_0    0.016074
12      R_I_0_pfam    0.015927
13      R_S_0_pfam    0.015079
########################
activatingresistance results ( 14 )
REC: 0.929
########################
P00533/EGFR/T790M 0.788 increaseresistance
########################
########################
P46734/MAP2K3/A84T 0.144 A
P11309/PIM1/S97N 0.241 A
########################
Q00535/CDK5/F82I 0.818 TBD
Q02750/MAP2K1/V211D 0.621 TBD
########################
O96017/CHEK2/K373E 0.462 Inconclusive
P06493/CDK1/V124G 0.571 Inconclusive
P46734/MAP2K3/R94L 0.426 Inconclusive
P46734/MAP2K3/R96W 0.474 Inconclusive
P46734/MAP2K3/L215W 0.579 Inconclusive
P46734/MAP2K3/T222M 0.541 Inconclusive
P11309/PIM1/Q127E 0.563 Inconclusive
Q06418/TYRO3/V669L 0.385 Inconclusive
Q13470/TNK1/A299D 0.196 Inconclusive
########################
########################
P07333/CSF1R/D802V 0.925 activating
P06493/CDK1/Y15F 0.483 activating
P31749/AKT1/T308D 0.564 activating
P11802/CDK4/R24C 0.427 activating
P21802/FGFR2/E565G 0.611 activating
P21802/FGFR2/K526E 0.32 activating
P21802/FGFR2/K659N 0.519 activating
Q15303/ERBB4/I947R 0.388 activating
Q9UM73/ALK/R1275Q 0.463 activating
Q8TDC3/BRSK1/T189E 0.642 activating
Q8IW41/MAPKAPK5/T182D 0.535 activating
P08581/MET/H1094L 0.464 activating
P08581/MET/H1094Y 0.392 activating
P08581/MET/H1106D 0.385 activating
P08581/MET/V1092I 0.378 activating
P08581/MET/Y1230D 0.83 activating
P08581/MET/N1100Y 0.165 activating
Q96GD4/AURKB/K215Q 0.426 activating
P22607/FGFR3/K650D 0.589 activating
P22607/FGFR3/K650E 0.546 activating
P22607/FGFR3/K650L 0.618 activating
P22607/FGFR3/K650M 0.64 activating
P22607/FGFR3/K650Q 0.501 activating
Q15139/PRKD1/R603H 0.412 activating
P36888/FLT3/D835E 0.91 activating
P36888/FLT3/D835N 0.901 activating
P43405/SYK/M450I 0.669 activating
P43405/SYK/S550F 0.539 activating
P43405/SYK/S550Y 0.56 activating
P29317/EPHA2/R721Q 0.129 activating
P00533/EGFR/G719S 0.666 activating
P00533/EGFR/L858R [0.36124216 0.63875784] 1 activating
P00533/EGFR/L858R 0.639 activating
P00533/EGFR/L861Q 0.862 activating
P00533/EGFR/S768I 0.539 activating
P11362/FGFR1/K656E 0.526 activating
Q9P0L2/MARK1/T215E 0.603 activating
P53778/MAPK12/D179A 0.56 activating
P15056/BRAF/V600F 0.836 activating
P15056/BRAF/V600K 0.865 activating
Q14680/MELK/T167E 0.601 activating
O96013/PAK4/S445N 0.469 activating
Q8IY84/NIM1K/T229E 0.584 activating
P10721/KIT/D816F 0.95 activating
P10721/KIT/D816I 0.939 activating
P10721/KIT/D816Y 0.945 activating
P10721/KIT/N822I 0.633 activating
P10721/KIT/D816V 0.933 activating
P10721/KIT/Y823F 0.585 activating
Q5S007/LRRK2/G2019S 0.654 activating
O15111/CHUK/S176E 0.448 activating
Q96GX5/MASTL/K72M 0.282 activating
O60674/JAK2/R867Q 0.323 activating
P46734/MAP2K3/S218E 0.574 activating
P46734/MAP2K3/T222E 0.526 activating
P50750/CDK9/S175A 0.272 activating
P50750/CDK9/T186D 0.506 activating
P50750/CDK9/K48R 0.414 activating
P52564/MAP2K6/S207E 0.575 activating
P52564/MAP2K6/T211E 0.528 activating
Q13418/ILK/S343D 0.749 activating
O14965/AURKA/V174M 0.251 activating
O14965/AURKA/T287E 0.347 activating
P17612/PRKACA/L206R 0.545 activating
P16234/PDGFRA/D842Y 0.946 activating
P16234/PDGFRA/H650Q 0.471 activating
P16234/PDGFRA/N659K 0.787 activating
P16234/PDGFRA/N659S 0.802 activating
P16234/PDGFRA/R748G 0.165 activating
P16234/PDGFRA/Y849S 0.658 activating
P09619/PDGFRB/V665A 0.615 activating
P09619/PDGFRB/N666H 0.633 activating
O14920/IKBKB/S177E 0.505 activating
O14920/IKBKB/S181E 0.543 activating
Q8IWQ3/BRSK2/T174E 0.621 activating
O00444/PLK4/T170D 0.589 activating
Q9BXA7/TSSK1B/T174E 0.641 activating
P07949/RET/G894S 0.65 activating
P07949/RET/V778I 0.251 activating
P04049/RAF1/T491D 0.509 activating
P04049/RAF1/S494D 0.501 activating
Q9H0K1/SIK2/T175E 0.603 activating
Q13153/PAK1/T423E 0.623 activating
########################
REC: neutral 0.959
########################
REC: loss 0.742
########################
REC: decrease 0.451