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ai_nld.txt
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columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.78213289]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 10}
[[0.58738834 0.41261166]
[0.60465504 0.39534496]
[0.70884143 0.29115857]
...
[0.70948828 0.29051172]
[0.44745853 0.55254147]
[0.72584528 0.27415472]]
########################
hmmScoreWT 0.1331294699551687
hmmScoreMUT 0.07659126307343031
Phosphomimic 0.040032495279736235
ncontacts 0.06950149336881489
phi_psi 0.016457642877037416
ChargesMUT 0.06741945496391455
p_-1_pfam 0.021638785580480456
p_0_pfam 0.06245159237407092
ub_0_pfam 0.05132776699614096
p_1 0.01823190313842838
p_1_pfam 0.02044596386588689
ub_1_pfam 0.017642376914544698
H_WT 0.0105919859927513
K_WT 0.06659432100448551
V_WT 0.01356596040871584
E_MUT 0.02187500977251983
allHomologs 0.029983310075982907
exclParalogs 0.012816144231030904
specParalogs 0.04291386589999534
orthologs 0.05148636714910852
bpso 0.03985028630406103
bpsh 0.07711932781457438
Feature Importance
0 hmmScoreWT 0.133129
21 bpsh 0.077119
1 hmmScoreMUT 0.076591
3 ncontacts 0.069501
5 ChargesMUT 0.067419
13 K_WT 0.066594
7 p_0_pfam 0.062452
19 orthologs 0.051486
8 ub_0_pfam 0.051328
18 specParalogs 0.042914
2 Phosphomimic 0.040032
20 bpso 0.039850
16 allHomologs 0.029983
15 E_MUT 0.021875
6 p_-1_pfam 0.021639
10 p_1_pfam 0.020446
9 p_1 0.018232
11 ub_1_pfam 0.017642
4 phi_psi 0.016458
14 V_WT 0.013566
17 exclParalogs 0.012816
12 H_WT 0.010592
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.718
########################
MAP2K3/A84T/test 0.539 A
PIM1/S97N/test 0.575 A
########################
CDK5/F82I/test 0.418 TBD
MAP2K1/V211D/test 0.447 TBD
########################
CHEK2/K373E/test 0.445 Inconclusive
MAP2K3/R94L/test 0.525 Inconclusive
MAP2K3/R96W/test 0.402 Inconclusive
MAP2K3/L215W/test 0.479 Inconclusive
MAP2K3/T222M/test 0.434 Inconclusive
PIM1/Q127E/test 0.531 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.78967412]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 50}
[[0.59484433 0.40515567]
[0.63228079 0.36771921]
[0.64696394 0.35303606]
...
[0.75859582 0.24140418]
[0.42141714 0.57858286]
[0.73036548 0.26963452]]
########################
hmmScoreWT 0.13525170133447628
hmmScoreMUT 0.10423584639530312
Phosphomimic 0.041706348248414314
Acetylmimic 0.025224957770109285
ncontacts 0.03141564801287861
nresidues 0.010601606863233576
phi_psi 0.029268175354612375
burr 0.049997679630195545
acc 0.014887968756276865
ChargesWT 0.01063091622794886
ChargesMUT 0.035028092716932954
p_0_pfam 0.02103464432381195
ub_0_pfam 0.01157783075822776
p_1_pfam 0.015433010702489704
ub_1_pfam 0.01494333228794687
K_WT 0.034222115131198556
A_MUT 0.01849156941814398
D_MUT 0.01155785526036506
E_MUT 0.037865414515864185
R_MUT 0.01657416614322023
allHomologs 0.029788735286442138
exclParalogs 0.030069740849168965
specParalogs 0.02773380961124148
orthologs 0.04968843249526244
bpso 0.024408793002071147
bpsh 0.06371612688166933
Feature Importance
0 hmmScoreWT 0.135252
1 hmmScoreMUT 0.104236
25 bpsh 0.063716
7 burr 0.049998
23 orthologs 0.049688
2 Phosphomimic 0.041706
18 E_MUT 0.037865
10 ChargesMUT 0.035028
15 K_WT 0.034222
4 ncontacts 0.031416
21 exclParalogs 0.030070
20 allHomologs 0.029789
6 phi_psi 0.029268
22 specParalogs 0.027734
3 Acetylmimic 0.025225
24 bpso 0.024409
11 p_0_pfam 0.021035
16 A_MUT 0.018492
19 R_MUT 0.016574
13 p_1_pfam 0.015433
14 ub_1_pfam 0.014943
8 acc 0.014888
12 ub_0_pfam 0.011578
17 D_MUT 0.011558
9 ChargesWT 0.010631
5 nresidues 0.010602
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.746
########################
MAP2K3/A84T/test 0.536 A
PIM1/S97N/test 0.588 A
########################
CDK5/F82I/test 0.497 TBD
MAP2K1/V211D/test 0.502 TBD
########################
CHEK2/K373E/test 0.534 Inconclusive
MAP2K3/R94L/test 0.561 Inconclusive
MAP2K3/R96W/test 0.377 Inconclusive
MAP2K3/L215W/test 0.457 Inconclusive
MAP2K3/T222M/test 0.488 Inconclusive
PIM1/Q127E/test 0.56 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.7994058]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 3, 'n_estimators': 100}
[[0.58692436 0.41307564]
[0.60846723 0.39153277]
[0.59936915 0.40063085]
...
[0.75107473 0.24892527]
[0.41777296 0.58222704]
[0.74106975 0.25893025]]
########################
hmmScoreWT 0.1192986755803701
hmmScoreMUT 0.0993993642315445
Phosphomimic 0.05229208408701207
Acetylmimic 0.03328534545147164
IUPRED 0.019158617303855964
ncontacts 0.021401988274838718
nresidues 0.013950581747132908
phi_psi 0.032285798351379576
sec 0.011130409843814946
burr 0.04206275263273014
acc 0.01588722284844853
ChargesMUT 0.0576314773835128
p_0_pfam 0.016049133606970065
p_1 0.01115407306257559
p_1_pfam 0.011578916388174916
K_WT 0.03192076742975284
A_MUT 0.030082247724526494
E_MUT 0.023194015284853077
R_MUT 0.010580675075847347
allHomologs 0.046532753978489896
exclParalogs 0.03262097869799782
specParalogs 0.023697304838952712
orthologs 0.0507857444697599
bpso 0.03258056687555107
bpsh 0.04101418782047972
Feature Importance
0 hmmScoreWT 0.119299
1 hmmScoreMUT 0.099399
11 ChargesMUT 0.057631
2 Phosphomimic 0.052292
22 orthologs 0.050786
19 allHomologs 0.046533
9 burr 0.042063
24 bpsh 0.041014
3 Acetylmimic 0.033285
20 exclParalogs 0.032621
23 bpso 0.032581
7 phi_psi 0.032286
15 K_WT 0.031921
16 A_MUT 0.030082
21 specParalogs 0.023697
17 E_MUT 0.023194
5 ncontacts 0.021402
4 IUPRED 0.019159
12 p_0_pfam 0.016049
10 acc 0.015887
6 nresidues 0.013951
14 p_1_pfam 0.011579
13 p_1 0.011154
8 sec 0.011130
18 R_MUT 0.010581
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.845
########################
MAP2K3/A84T/test 0.541 A
PIM1/S97N/test 0.582 A
########################
CDK5/F82I/test 0.51 TBD
MAP2K1/V211D/test 0.506 TBD
########################
CHEK2/K373E/test 0.552 Inconclusive
MAP2K3/R94L/test 0.56 Inconclusive
MAP2K3/R96W/test 0.402 Inconclusive
MAP2K3/L215W/test 0.458 Inconclusive
MAP2K3/T222M/test 0.495 Inconclusive
PIM1/Q127E/test 0.582 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.77870926]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 10}
[[0.58776042 0.41223958]
[0.60465504 0.39534496]
[0.7092135 0.2907865 ]
...
[0.70986035 0.29013965]
[0.44745853 0.55254147]
[0.72584528 0.27415472]]
########################
hmmScoreWT 0.13452045133857177
hmmScoreMUT 0.076714202313657
Phosphomimic 0.053637650458965014
ncontacts 0.061731756240419954
phi_psi 0.017019031373677062
ChargesMUT 0.0681523072714417
p_-1_pfam 0.021985181836365015
p_0_pfam 0.07375082487310353
ub_0_pfam 0.05195454238715613
p_1 0.01823190313842838
p_1_pfam 0.02063689845898225
ub_1_pfam 0.017642376914544698
H_WT 0.01066293927442247
K_WT 0.0681908309251223
V_WT 0.014028710401301225
allHomologs 0.030369497050247506
exclParalogs 0.01282005357201826
specParalogs 0.04291386589999534
orthologs 0.05537604392575968
bpso 0.03248709937622794
bpsh 0.0781591555788247
Feature Importance
0 hmmScoreWT 0.134520
20 bpsh 0.078159
1 hmmScoreMUT 0.076714
7 p_0_pfam 0.073751
13 K_WT 0.068191
5 ChargesMUT 0.068152
3 ncontacts 0.061732
18 orthologs 0.055376
2 Phosphomimic 0.053638
8 ub_0_pfam 0.051955
17 specParalogs 0.042914
19 bpso 0.032487
15 allHomologs 0.030369
6 p_-1_pfam 0.021985
10 p_1_pfam 0.020637
9 p_1 0.018232
11 ub_1_pfam 0.017642
4 phi_psi 0.017019
14 V_WT 0.014029
16 exclParalogs 0.012820
12 H_WT 0.010663
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.718
########################
MAP2K3/A84T/test 0.539 A
PIM1/S97N/test 0.575 A
########################
CDK5/F82I/test 0.417 TBD
MAP2K1/V211D/test 0.431 TBD
########################
CHEK2/K373E/test 0.432 Inconclusive
MAP2K3/R94L/test 0.525 Inconclusive
MAP2K3/R96W/test 0.402 Inconclusive
MAP2K3/L215W/test 0.479 Inconclusive
MAP2K3/T222M/test 0.441 Inconclusive
PIM1/Q127E/test 0.531 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.79290715]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 50}
[[0.59489105 0.40510895]
[0.63357456 0.36642544]
[0.64215947 0.35784053]
...
[0.76206259 0.23793741]
[0.42607276 0.57392724]
[0.73289996 0.26710004]]
########################
hmmScoreWT 0.13250233749825968
hmmScoreMUT 0.10406339248536693
Phosphomimic 0.049901821582067116
Acetylmimic 0.025343048002650574
ncontacts 0.02932696604114263
nresidues 0.010837944822997582
phi_psi 0.029561322392845483
burr 0.051394188830415945
acc 0.014407407463506557
ChargesWT 0.013838262912100583
ChargesMUT 0.03519496443102162
p_0_pfam 0.023393502433363574
ub_0_pfam 0.011732797475232709
p_1_pfam 0.015547861100272703
ub_1_pfam 0.015068166613038756
K_WT 0.03496900983987778
A_MUT 0.018568264954403044
D_MUT 0.011701588807475545
E_MUT 0.03398938085559924
R_MUT 0.01779796327424383
allHomologs 0.029874991167394737
exclParalogs 0.028881533770566115
specParalogs 0.027910989836142677
orthologs 0.049770662220193676
bpso 0.022768250394879817
bpsh 0.06298010440221777
Feature Importance
0 hmmScoreWT 0.132502
1 hmmScoreMUT 0.104063
25 bpsh 0.062980
7 burr 0.051394
2 Phosphomimic 0.049902
23 orthologs 0.049771
10 ChargesMUT 0.035195
15 K_WT 0.034969
18 E_MUT 0.033989
20 allHomologs 0.029875
6 phi_psi 0.029561
4 ncontacts 0.029327
21 exclParalogs 0.028882
22 specParalogs 0.027911
3 Acetylmimic 0.025343
11 p_0_pfam 0.023394
24 bpso 0.022768
16 A_MUT 0.018568
19 R_MUT 0.017798
13 p_1_pfam 0.015548
14 ub_1_pfam 0.015068
8 acc 0.014407
9 ChargesWT 0.013838
12 ub_0_pfam 0.011733
17 D_MUT 0.011702
5 nresidues 0.010838
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.746
########################
MAP2K3/A84T/test 0.536 A
PIM1/S97N/test 0.587 A
########################
CDK5/F82I/test 0.502 TBD
MAP2K1/V211D/test 0.499 TBD
########################
CHEK2/K373E/test 0.524 Inconclusive
MAP2K3/R94L/test 0.566 Inconclusive
MAP2K3/R96W/test 0.379 Inconclusive
MAP2K3/L215W/test 0.472 Inconclusive
MAP2K3/T222M/test 0.501 Inconclusive
PIM1/Q127E/test 0.566 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.79845096]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 4, 'min_samples_split': 3, 'n_estimators': 100}
[[0.58660806 0.41339194]
[0.61047076 0.38952924]
[0.60077503 0.39922497]
...
[0.75081411 0.24918589]
[0.42018253 0.57981747]
[0.74172739 0.25827261]]
########################
hmmScoreWT 0.11847697169582322
hmmScoreMUT 0.0989789065227126
Phosphomimic 0.05655443655465514
Acetylmimic 0.0339653330945745
IUPRED 0.019598644391373564
ncontacts 0.020319277885919973
nresidues 0.01411251974577508
phi_psi 0.032348272443718254
sec 0.01040372893545648
burr 0.043342969516837096
acc 0.015181647656351436
ChargesWT 0.011110752836004002
ChargesMUT 0.05696113744999879
p_0_pfam 0.017247042227523365
p_1 0.011193999372989535
p_1_pfam 0.010635930576263348
K_WT 0.032473355233922425
A_MUT 0.029984721950301663
D_MUT 0.010142823349078546
E_MUT 0.020044403619935328
R_MUT 0.011177669164808206
allHomologs 0.048418798401409786
exclParalogs 0.03220179229955511
specParalogs 0.024952156989953962
orthologs 0.05090368451708567
bpso 0.03202873730083738
bpsh 0.04055790880249969
Feature Importance
0 hmmScoreWT 0.118477
1 hmmScoreMUT 0.098979
12 ChargesMUT 0.056961
2 Phosphomimic 0.056554
24 orthologs 0.050904
21 allHomologs 0.048419
9 burr 0.043343
26 bpsh 0.040558
3 Acetylmimic 0.033965
16 K_WT 0.032473
7 phi_psi 0.032348
22 exclParalogs 0.032202
25 bpso 0.032029
17 A_MUT 0.029985
23 specParalogs 0.024952
5 ncontacts 0.020319
19 E_MUT 0.020044
4 IUPRED 0.019599
13 p_0_pfam 0.017247
10 acc 0.015182
6 nresidues 0.014113
14 p_1 0.011194
20 R_MUT 0.011178
11 ChargesWT 0.011111
15 p_1_pfam 0.010636
8 sec 0.010404
18 D_MUT 0.010143
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.831
########################
MAP2K3/A84T/test 0.542 A
PIM1/S97N/test 0.582 A
########################
CDK5/F82I/test 0.512 TBD
MAP2K1/V211D/test 0.5 TBD
########################
CHEK2/K373E/test 0.548 Inconclusive
MAP2K3/R94L/test 0.56 Inconclusive
MAP2K3/R96W/test 0.407 Inconclusive
MAP2K3/L215W/test 0.466 Inconclusive
MAP2K3/T222M/test 0.509 Inconclusive
PIM1/Q127E/test 0.584 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.77549855]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 10}
[[0.55055754 0.44944246]
[0.61937256 0.38062744]
[0.72393102 0.27606898]
...
[0.75627032 0.24372968]
[0.44418855 0.55581145]
[0.7405628 0.2594372 ]]
########################
hmmScoreWT 0.12203954866154701
hmmScoreMUT 0.1072599800435198
Phosphomimic 0.053637650458965014
ncontacts 0.06081500526496016
phi_psi 0.016944992047271398
ChargesMUT 0.0681523072714417
p_-1_pfam 0.02064238130501194
p_0 0.010925911355137322
p_0_pfam 0.07375082487310353
ub_0_pfam 0.0616260433054749
p_1 0.01823190313842838
p_1_pfam 0.02063689845898225
ub_1_pfam 0.013417927707756091
H_WT 0.01093218765525748
K_WT 0.06860020895077287
V_WT 0.013967680120220777
allHomologs 0.030369497050247506
specParalogs 0.04291386589999534
orthologs 0.034805782702113375
bpso 0.03002420366563774
bpsh 0.07947480443588004
Feature Importance
0 hmmScoreWT 0.122040
1 hmmScoreMUT 0.107260
20 bpsh 0.079475
8 p_0_pfam 0.073751
14 K_WT 0.068600
5 ChargesMUT 0.068152
9 ub_0_pfam 0.061626
3 ncontacts 0.060815
2 Phosphomimic 0.053638
17 specParalogs 0.042914
18 orthologs 0.034806
16 allHomologs 0.030369
19 bpso 0.030024
6 p_-1_pfam 0.020642
11 p_1_pfam 0.020637
10 p_1 0.018232
4 phi_psi 0.016945
15 V_WT 0.013968
12 ub_1_pfam 0.013418
13 H_WT 0.010932
7 p_0 0.010926
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.817
########################
MAP2K3/A84T/test 0.539 A
PIM1/S97N/test 0.575 A
########################
CDK5/F82I/test 0.426 TBD
MAP2K1/V211D/test 0.464 TBD
########################
CHEK2/K373E/test 0.472 Inconclusive
MAP2K3/R94L/test 0.534 Inconclusive
MAP2K3/R96W/test 0.384 Inconclusive
MAP2K3/L215W/test 0.519 Inconclusive
MAP2K3/T222M/test 0.446 Inconclusive
PIM1/Q127E/test 0.571 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.79333371]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 50}
[[0.58742247 0.41257753]
[0.6364422 0.3635578 ]
[0.64478701 0.35521299]
...
[0.77130757 0.22869243]
[0.42986843 0.57013157]
[0.73662557 0.26337443]]
########################
hmmScoreWT 0.13261412656362248
hmmScoreMUT 0.110728184532811
Phosphomimic 0.049901821582067116
Acetylmimic 0.025759078966015415
ncontacts 0.02912126524503143
phi_psi 0.02936766482330186
burr 0.048745751224985194
acc 0.012949735036019507
ChargesWT 0.013838262912100583
ChargesMUT 0.035120665115381006
p_0_pfam 0.02364790011526171
ub_0_pfam 0.013706573172848782
p_1_pfam 0.015583059805739402
ub_1_pfam 0.013843809750541811
K_WT 0.03505255637572484
A_MUT 0.018627360950712234
D_MUT 0.01210030419500453
E_MUT 0.03409813838692565
R_MUT 0.017903580990066198
allHomologs 0.030629055506648475
exclParalogs 0.02731422651441822
specParalogs 0.028268232927341236
orthologs 0.04681459225189025
bpso 0.02134655509193294
bpsh 0.06279891748551321
Feature Importance
0 hmmScoreWT 0.132614
1 hmmScoreMUT 0.110728
24 bpsh 0.062799
2 Phosphomimic 0.049902
6 burr 0.048746
22 orthologs 0.046815
9 ChargesMUT 0.035121
14 K_WT 0.035053
17 E_MUT 0.034098
19 allHomologs 0.030629
5 phi_psi 0.029368
4 ncontacts 0.029121
21 specParalogs 0.028268
20 exclParalogs 0.027314
3 Acetylmimic 0.025759
10 p_0_pfam 0.023648
23 bpso 0.021347
15 A_MUT 0.018627
18 R_MUT 0.017904
12 p_1_pfam 0.015583
13 ub_1_pfam 0.013844
8 ChargesWT 0.013838
11 ub_0_pfam 0.013707
7 acc 0.012950
16 D_MUT 0.012100
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.789
########################
MAP2K3/A84T/test 0.536 A
PIM1/S97N/test 0.585 A
########################
CDK5/F82I/test 0.504 TBD
MAP2K1/V211D/test 0.515 TBD
########################
CHEK2/K373E/test 0.532 Inconclusive
MAP2K3/R94L/test 0.568 Inconclusive
MAP2K3/R96W/test 0.378 Inconclusive
MAP2K3/L215W/test 0.477 Inconclusive
MAP2K3/T222M/test 0.501 Inconclusive
PIM1/Q127E/test 0.574 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.80046703]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 5, 'min_samples_split': 3, 'n_estimators': 100}
[[0.58286961 0.41713039]
[0.61173074 0.38826926]
[0.60294278 0.39705722]
...
[0.7492205 0.2507795 ]
[0.42019846 0.57980154]
[0.74460176 0.25539824]]
########################
hmmScoreWT 0.11848849407092564
hmmScoreMUT 0.1027546645811302
Phosphomimic 0.0542021045660126
Acetylmimic 0.030694264942778108
IUPRED 0.01878222707443072
ncontacts 0.019442186918087488
nresidues 0.017960950342313917
phi_psi 0.032119168466326946
sec 0.010440612106088588
burr 0.04128836522413516
acc 0.014533588095074372
ChargesWT 0.01110613703349616
ChargesMUT 0.05225545368309708
p_0_pfam 0.01791171217844222
p_1 0.01109868660635692
p_1_pfam 0.010657466574311639
ub_1_pfam 0.011176269362946346
K_WT 0.032903974180296496
A_MUT 0.030162454154261435
E_MUT 0.02050077239718615
R_MUT 0.011287884360240806
allHomologs 0.04954608490414191
exclParalogs 0.03256121309377342
specParalogs 0.02525874185115322
orthologs 0.0497707056791537
bpso 0.032833173885357864
bpsh 0.04103977629783192
Feature Importance
0 hmmScoreWT 0.118488
1 hmmScoreMUT 0.102755
2 Phosphomimic 0.054202
12 ChargesMUT 0.052255
24 orthologs 0.049771
21 allHomologs 0.049546
9 burr 0.041288
26 bpsh 0.041040
17 K_WT 0.032904
25 bpso 0.032833
22 exclParalogs 0.032561
7 phi_psi 0.032119
3 Acetylmimic 0.030694
18 A_MUT 0.030162
23 specParalogs 0.025259
19 E_MUT 0.020501
5 ncontacts 0.019442
4 IUPRED 0.018782
6 nresidues 0.017961
13 p_0_pfam 0.017912
10 acc 0.014534
20 R_MUT 0.011288
16 ub_1_pfam 0.011176
11 ChargesWT 0.011106
14 p_1 0.011099
15 p_1_pfam 0.010657
8 sec 0.010441
########################
activatingresistance results ( 14 )
REC: 0.857
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )
REC: 0.859
########################
MAP2K3/A84T/test 0.542 A
PIM1/S97N/test 0.582 A
########################
CDK5/F82I/test 0.513 TBD
MAP2K1/V211D/test 0.51 TBD
########################
CHEK2/K373E/test 0.552 Inconclusive
MAP2K3/R94L/test 0.56 Inconclusive
MAP2K3/R96W/test 0.403 Inconclusive
MAP2K3/L215W/test 0.47 Inconclusive
MAP2K3/T222M/test 0.505 Inconclusive
PIM1/Q127E/test 0.59 Inconclusive
columns to consider ['Acc' 'Gene' 'Mutation' 'hmmScoreWT' 'hmmScoreMUT' 'Phosphomimic'
'Acetylmimic' 'IUPRED' 'ncontacts' 'nresidues' 'phi_psi' 'sec' 'burr'
'acc' 'ChargesWT' 'ChargesMUT' 'ac_-1' 'gl_-1' 'm1_-1' 'm2_-1' 'm3_-1'
'me_-1' 'p_-1' 'sm_-1' 'ub_-1' 'ac_-1_pfam' 'gl_-1_pfam' 'm1_-1_pfam'
'm2_-1_pfam' 'm3_-1_pfam' 'me_-1_pfam' 'p_-1_pfam' 'sm_-1_pfam'
'ub_-1_pfam' 'ac_0' 'gl_0' 'm1_0' 'm2_0' 'm3_0' 'me_0' 'p_0' 'sm_0'
'ub_0' 'ac_0_pfam' 'gl_0_pfam' 'm1_0_pfam' 'm2_0_pfam' 'm3_0_pfam'
'me_0_pfam' 'p_0_pfam' 'sm_0_pfam' 'ub_0_pfam' 'ac_1' 'gl_1' 'm1_1'
'm2_1' 'm3_1' 'me_1' 'p_1' 'sm_1' 'ub_1' 'ac_1_pfam' 'gl_1_pfam'
'm1_1_pfam' 'm2_1_pfam' 'm3_1_pfam' 'me_1_pfam' 'p_1_pfam' 'sm_1_pfam'
'ub_1_pfam' 'A_WT' 'C_WT' 'D_WT' 'E_WT' 'F_WT' 'G_WT' 'H_WT' 'I_WT'
'K_WT' 'L_WT' 'M_WT' 'N_WT' 'P_WT' 'Q_WT' 'R_WT' 'S_WT' 'T_WT' 'V_WT'
'W_WT' 'Y_WT' 'A_MUT' 'C_MUT' 'D_MUT' 'E_MUT' 'F_MUT' 'G_MUT' 'H_MUT'
'I_MUT' 'K_MUT' 'L_MUT' 'M_MUT' 'N_MUT' 'P_MUT' 'Q_MUT' 'R_MUT' 'S_MUT'
'T_MUT' 'V_MUT' 'W_MUT' 'Y_MUT' 'allHomologs' 'exclParalogs'
'specParalogs' 'orthologs' 'bpso' 'bpsh' 'A_-1' 'D_-1' 'R_-1' 'A_-1_pfam'
'D_-1_pfam' 'R_-1_pfam' 'A_0_pfam' 'D_0_pfam' 'R_0_pfam' 'A_1' 'D_1'
'R_1' 'A_1_pfam' 'D_1_pfam' 'R_1_pfam' 'MUT_TYPE']
mean_test_score [0.77561532]
-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-#-
Best model found during the CV
{'max_depth': 3, 'max_features': 'log2', 'min_samples_leaf': 3, 'min_samples_split': 4, 'n_estimators': 10}
[[0.58738834 0.41261166]
[0.60465504 0.39534496]
[0.70884143 0.29115857]
...
[0.70948828 0.29051172]
[0.44745853 0.55254147]
[0.72584528 0.27415472]]
########################
hmmScoreWT 0.1331294699551687
hmmScoreMUT 0.07659126307343031
Phosphomimic 0.040032495279736235
ncontacts 0.06950149336881489
phi_psi 0.016457642877037416
ChargesMUT 0.06741945496391455
p_-1_pfam 0.021638785580480456
p_0_pfam 0.06245159237407092
ub_0_pfam 0.05132776699614096
p_1 0.01823190313842838
p_1_pfam 0.02044596386588689
ub_1_pfam 0.017642376914544698
H_WT 0.0105919859927513
K_WT 0.06659432100448551
V_WT 0.01356596040871584
E_MUT 0.02187500977251983
allHomologs 0.029983310075982907
exclParalogs 0.012816144231030904
specParalogs 0.04291386589999534
orthologs 0.05148636714910852
bpso 0.03985028630406103
bpsh 0.07711932781457438
Feature Importance
0 hmmScoreWT 0.133129
21 bpsh 0.077119
1 hmmScoreMUT 0.076591
3 ncontacts 0.069501
5 ChargesMUT 0.067419
13 K_WT 0.066594
7 p_0_pfam 0.062452
19 orthologs 0.051486
8 ub_0_pfam 0.051328
18 specParalogs 0.042914
2 Phosphomimic 0.040032
20 bpso 0.039850
16 allHomologs 0.029983
15 E_MUT 0.021875
6 p_-1_pfam 0.021639
10 p_1_pfam 0.020446
9 p_1 0.018232
11 ub_1_pfam 0.017642
4 phi_psi 0.016458
14 V_WT 0.013566
17 exclParalogs 0.012816
12 H_WT 0.010592
########################
activatingresistance results ( 14 )
REC: 0.929
########################
increaseresistance results ( 1 )
REC: 1.0
########################
resistance results ( 71 )