=== Run information ===

Scheme:       weka.classifiers.trees.RandomTree -K 0 -M 1.0 -V 0.001 -S 1
Relation:     provaaa-weka.filters.unsupervised.attribute.Remove-R12,25-weka.filters.unsupervised.attribute.Remove-R39
Instances:    276
Attributes:   58
              Angles
              Atoms
              Bonds
              ChiralAtms
              Dipole
              EzBnds
              FlexTorsions
              Gyrrad
              HbAcc
              HbDon
              HeavyAtoms
              Lipole
              Mass
              Ovality
              Psa
              Rings
              Sas
              Sav
              Sdiam
              Surface
              Torsions
              Vdiam
              VirtualLogP
              Charge
              FG_Br
              FG_CHO
              FG_CN3
              FG_CNH
              FG_CNR
              FG_CO
              FG_COCH2CO
              FG_CON
              FG_CON2
              FG_COOH
              FG_COOR
              FG_Cl
              FG_F
              FG_I
              FG_N1
              FG_N2
              FG_N3
              FG_NNN
              FG_NO
              FG_NO2
              FG_NOH
              FG_NP
              FG_Nan
              FG_OH
              FG_OHK
              FG_OR2
              FG_PO3
              FG_PhOH
              FG_SH
              FG_SO
              FG_SO2
              FG_SO3H
              FG_SR2
              Permeation
Test mode:    10-fold cross-validation

=== Classifier model (full training set) ===


RandomTree
==========

HbDon < 0.5
|   Sas < 756.11
|   |   FG_COOR = yes
|   |   |   Angles < 106.5
|   |   |   |   Atoms < 48 : TRUE (2/0)
|   |   |   |   Atoms >= 48
|   |   |   |   |   Atoms < 51 : FALSE (1/0)
|   |   |   |   |   Atoms >= 51 : TRUE (2/0)
|   |   |   Angles >= 106.5 : FALSE (1/0)
|   |   FG_COOR = no
|   |   |   HeavyAtoms < 13.5
|   |   |   |   Gyrrad < 2.85 : TRUE (14/0)
|   |   |   |   Gyrrad >= 2.85 : FALSE (1/0)
|   |   |   HeavyAtoms >= 13.5 : TRUE (28/0)
|   Sas >= 756.11 : FALSE (3/0)
HbDon >= 0.5
|   Angles < 92.5
|   |   Gyrrad < 3.68
|   |   |   Torsions < 17.5
|   |   |   |   Sas < 283.42 : TRUE (6/0)
|   |   |   |   Sas >= 283.42
|   |   |   |   |   FlexTorsions < 0.5
|   |   |   |   |   |   Sas < 301.9 : FALSE (1/0)
|   |   |   |   |   |   Sas >= 301.9 : TRUE (6/0)
|   |   |   |   |   FlexTorsions >= 0.5
|   |   |   |   |   |   FG_CON2 = yes
|   |   |   |   |   |   |   Lipole < 2.12 : TRUE (6/0)
|   |   |   |   |   |   |   Lipole >= 2.12 : FALSE (1/0)
|   |   |   |   |   |   FG_CON2 = no
|   |   |   |   |   |   |   HbAcc < 2.5
|   |   |   |   |   |   |   |   Rings < 1.5
|   |   |   |   |   |   |   |   |   Sav < 575 : TRUE (6/0)
|   |   |   |   |   |   |   |   |   Sav >= 575
|   |   |   |   |   |   |   |   |   |   Sdiam < 8.57 : FALSE (1/0)
|   |   |   |   |   |   |   |   |   |   Sdiam >= 8.57 : TRUE (5/0)
|   |   |   |   |   |   |   |   Rings >= 1.5
|   |   |   |   |   |   |   |   |   Torsions < 15.5 : FALSE (3/0)
|   |   |   |   |   |   |   |   |   Torsions >= 15.5
|   |   |   |   |   |   |   |   |   |   HeavyAtoms < 15.5 : TRUE (1/0)
|   |   |   |   |   |   |   |   |   |   HeavyAtoms >= 15.5 : FALSE (2/0)
|   |   |   |   |   |   |   HbAcc >= 2.5
|   |   |   |   |   |   |   |   HeavyAtoms < 12.5 : FALSE (7/0)
|   |   |   |   |   |   |   |   HeavyAtoms >= 12.5
|   |   |   |   |   |   |   |   |   Angles < 39.5 : TRUE (3/0)
|   |   |   |   |   |   |   |   |   Angles >= 39.5
|   |   |   |   |   |   |   |   |   |   Torsions < 14.5 : FALSE (12/0)
|   |   |   |   |   |   |   |   |   |   Torsions >= 14.5
|   |   |   |   |   |   |   |   |   |   |   HeavyAtoms < 16.5
|   |   |   |   |   |   |   |   |   |   |   |   ChiralAtms < 1.5 : FALSE (2/0)
|   |   |   |   |   |   |   |   |   |   |   |   ChiralAtms >= 1.5 : TRUE (1/0)
|   |   |   |   |   |   |   |   |   |   |   HeavyAtoms >= 16.5 : TRUE (5/0)
|   |   |   Torsions >= 17.5
|   |   |   |   Vdiam < 7.3 : FALSE (1/0)
|   |   |   |   Vdiam >= 7.3
|   |   |   |   |   Sas < 561.95
|   |   |   |   |   |   HeavyAtoms < 19.5
|   |   |   |   |   |   |   Torsions < 19.5
|   |   |   |   |   |   |   |   FG_COOH = yes : FALSE (1/0)
|   |   |   |   |   |   |   |   FG_COOH = no : TRUE (4/0)
|   |   |   |   |   |   |   Torsions >= 19.5 : TRUE (7/0)
|   |   |   |   |   |   HeavyAtoms >= 19.5 : TRUE (11/0)
|   |   |   |   |   Sas >= 561.95 : FALSE (1/0)
|   |   Gyrrad >= 3.68
|   |   |   Ovality < 1.69
|   |   |   |   HbAcc < 3.5
|   |   |   |   |   Rings < 1.5 : FALSE (2/0)
|   |   |   |   |   Rings >= 1.5
|   |   |   |   |   |   Mass < 303.41
|   |   |   |   |   |   |   Ovality < 1.59 : FALSE (1/0)
|   |   |   |   |   |   |   Ovality >= 1.59 : TRUE (5/0)
|   |   |   |   |   |   Mass >= 303.41 : FALSE (2/0)
|   |   |   |   HbAcc >= 3.5
|   |   |   |   |   Mass < 356.38 : FALSE (16/0)
|   |   |   |   |   Mass >= 356.38
|   |   |   |   |   |   EzBnds < 0.5 : FALSE (3/0)
|   |   |   |   |   |   EzBnds >= 0.5
|   |   |   |   |   |   |   Mass < 362.39 : TRUE (1/0)
|   |   |   |   |   |   |   Mass >= 362.39 : FALSE (2/0)
|   |   |   Ovality >= 1.69
|   |   |   |   Sdiam < 10.97
|   |   |   |   |   Lipole < 2.38
|   |   |   |   |   |   HbAcc < 3.5 : TRUE (3/0)
|   |   |   |   |   |   HbAcc >= 3.5 : FALSE (3/0)
|   |   |   |   |   Lipole >= 2.38 : FALSE (3/0)
|   |   |   |   Sdiam >= 10.97
|   |   |   |   |   VirtualLogP < 3.41
|   |   |   |   |   |   Dipole < 2.83 : FALSE (3/0)
|   |   |   |   |   |   Dipole >= 2.83 : TRUE (1/0)
|   |   |   |   |   VirtualLogP >= 3.41 : TRUE (5/0)
|   Angles >= 92.5
|   |   FlexTorsions < 1 : TRUE (1/0)
|   |   FlexTorsions >= 1
|   |   |   Ovality < 1.73 : FALSE (9/0)
|   |   |   Ovality >= 1.73
|   |   |   |   Psa < 59.66
|   |   |   |   |   HeavyAtoms < 31
|   |   |   |   |   |   Bonds < 51.5 : FALSE (1/0)
|   |   |   |   |   |   Bonds >= 51.5 : TRUE (5/0)
|   |   |   |   |   HeavyAtoms >= 31
|   |   |   |   |   |   FlexTorsions < 9 : FALSE (6/0)
|   |   |   |   |   |   FlexTorsions >= 9 : TRUE (1/0)
|   |   |   |   Psa >= 59.66
|   |   |   |   |   FG_PhOH = yes
|   |   |   |   |   |   Angles < 119.5 : TRUE (3/0)
|   |   |   |   |   |   Angles >= 119.5
|   |   |   |   |   |   |   Angles < 230 : FALSE (4/0)
|   |   |   |   |   |   |   Angles >= 230
|   |   |   |   |   |   |   |   ChiralAtms < 21.5 : FALSE (1/0)
|   |   |   |   |   |   |   |   ChiralAtms >= 21.5 : TRUE (1/0)
|   |   |   |   |   FG_PhOH = no
|   |   |   |   |   |   FG_F = yes
|   |   |   |   |   |   |   ChiralAtms < 1.5 : TRUE (1/0)
|   |   |   |   |   |   |   ChiralAtms >= 1.5
|   |   |   |   |   |   |   |   Vdiam < 9.07 : FALSE (2/0)
|   |   |   |   |   |   |   |   Vdiam >= 9.07 : TRUE (1/0)
|   |   |   |   |   |   FG_F = no
|   |   |   |   |   |   |   Lipole < 2.31
|   |   |   |   |   |   |   |   FlexTorsions < 8.5
|   |   |   |   |   |   |   |   |   Sas < 977.12
|   |   |   |   |   |   |   |   |   |   EzBnds < 0.5
|   |   |   |   |   |   |   |   |   |   |   ChiralAtms < 0.5
|   |   |   |   |   |   |   |   |   |   |   |   Mass < 441.24 : TRUE (1/0)
|   |   |   |   |   |   |   |   |   |   |   |   Mass >= 441.24 : FALSE (1/0)
|   |   |   |   |   |   |   |   |   |   |   ChiralAtms >= 0.5 : FALSE (8/0)
|   |   |   |   |   |   |   |   |   |   EzBnds >= 0.5
|   |   |   |   |   |   |   |   |   |   |   Bonds < 59 : FALSE (1/0)
|   |   |   |   |   |   |   |   |   |   |   Bonds >= 59 : TRUE (1/0)
|   |   |   |   |   |   |   |   |   Sas >= 977.12 : TRUE (1/0)
|   |   |   |   |   |   |   |   FlexTorsions >= 8.5 : FALSE (11/0)
|   |   |   |   |   |   |   Lipole >= 2.31 : FALSE (21/0)

Size of the tree : 131

Time taken to build model: 0.02 seconds

=== Stratified cross-validation ===
=== Summary ===

Correctly Classified Instances         208               75.3623 %
Incorrectly Classified Instances        68               24.6377 %
Kappa statistic                          0.5072
Mean absolute error                      0.2464
Root mean squared error                  0.4964
Relative absolute error                 49.2725 %
Root relative squared error             99.2667 %
Total Number of Instances              276     

=== Detailed Accuracy By Class ===

                 TP Rate  FP Rate  Precision  Recall   F-Measure  MCC      ROC Area  PRC Area  Class
                 0,783    0,275    0,740      0,783    0,761      0,508    0,754     0,688     TRUE
                 0,725    0,217    0,769      0,725    0,746      0,508    0,754     0,695     FALSE
Weighted Avg.    0,754    0,246    0,754      0,754    0,753      0,508    0,754     0,691     

=== Confusion Matrix ===

   a   b   <-- classified as
 108  30 |   a = TRUE
  38 100 |   b = FALSE

