=== Run information ===

Scheme:       weka.classifiers.trees.RandomForest -P 100 -print -I 100 -num-slots 1 -K 0 -M 1.0 -V 0.001 -S 1
Relation:     MOLECOLE PER QSAR PROP CF Weka-weka.filters.unsupervised.attribute.Reorder-R1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,3-weka.filters.unsupervised.attribute.Remove-R1-2
Instances:    84
Attributes:   41
              Angles
              Atoms
              Bonds
              Charge
              ChiralAtms
              Dipole
              EzBnds
              FlexTorsions
              Gyrrad
              HbAcc
              HbDon
              HbTot
              HeavyAtoms
              Impropers
              Lipole
              Mass
              Ovality
              Psa
              Rings
              Sas
              Sav
              Sdiam
              Surface
              ASA
              Torsions
              Vdiam
              VirtualLogP
              Volume
              HEAT_OF_FORMATION
              TOTAL_ENERGY
              ELECTRONIC_ENERGY
              CORE-CORE_REPULSION
              DIPOLE
              NO._OF_FILLED_LEVELS
              IONIZATION_POTENTIAL
              HOMO_ENERGY
              LUMO_ENERGY
              MOLECULAR_WEIGHT
              COSMO_AREA
              COSMO_VOLUME
              Att
Test mode:    10-fold cross-validation

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

RandomForest

Bagging with 100 iterations and base learner

weka.classifiers.trees.RandomTree -K 0 -M 1.0 -V 0.001 -S 1 -do-not-check-capabilitiesAll the base classifiers: 


RandomTree
==========

Ovality < 1.82
|   Dipole < 2.85 : 1 (11/0)
|   Dipole >= 2.85
|   |   Vdiam < 8.19 : 0 (5/0)
|   |   Vdiam >= 8.19
|   |   |   HOMO_ENERGY < -8.27
|   |   |   |   HbDon < 2.5 : 0 (1/0)
|   |   |   |   HbDon >= 2.5 : 1 (13/0)
|   |   |   HOMO_ENERGY >= -8.27
|   |   |   |   Torsions < 21.5 : 1 (3/0)
|   |   |   |   Torsions >= 21.5 : 0 (7/0)
Ovality >= 1.82
|   Sav < 1283.78 : 0 (28/0)
|   Sav >= 1283.78
|   |   HEAT_OF_FORMATION < -0.63
|   |   |   Lipole < 3.94 : 0 (3/0)
|   |   |   Lipole >= 3.94 : 1 (2/0)
|   |   HEAT_OF_FORMATION >= -0.63
|   |   |   IONIZATION_POTENTIAL < 8.22
|   |   |   |   HbDon < 6.5 : 1 (1/0)
|   |   |   |   HbDon >= 6.5 : 0 (1/0)
|   |   |   IONIZATION_POTENTIAL >= 8.22 : 1 (9/0)

Size of the tree : 23


RandomTree
==========

HbAcc < 5.5
|   FlexTorsions < 9.5
|   |   VirtualLogP < 3.01
|   |   |   HEAT_OF_FORMATION < -63.72 : 1 (9/0)
|   |   |   HEAT_OF_FORMATION >= -63.72
|   |   |   |   VirtualLogP < 1.8
|   |   |   |   |   Sas < 538.97 : 0 (3/0)
|   |   |   |   |   Sas >= 538.97
|   |   |   |   |   |   Gyrrad < 5.51 : 1 (7/0)
|   |   |   |   |   |   Gyrrad >= 5.51
|   |   |   |   |   |   |   Angles < 86 : 0 (2/0)
|   |   |   |   |   |   |   Angles >= 86 : 1 (2/0)
|   |   |   |   VirtualLogP >= 1.8 : 0 (14/0)
|   |   VirtualLogP >= 3.01
|   |   |   Lipole < 5.27 : 1 (21/0)
|   |   |   Lipole >= 5.27 : 0 (2/0)
|   FlexTorsions >= 9.5 : 0 (8/0)
HbAcc >= 5.5
|   VirtualLogP < 3.77 : 0 (15/0)
|   VirtualLogP >= 3.77 : 1 (1/0)

Size of the tree : 21


RandomTree
==========

LUMO_ENERGY < -1.66 : 1 (10/0)
LUMO_ENERGY >= -1.66
|   Psa < 125.99
|   |   Bonds < 35.5 : 0 (6/0)
|   |   Bonds >= 35.5
|   |   |   VirtualLogP < 1.83
|   |   |   |   Mass < 376.43 : 1 (12/0)
|   |   |   |   Mass >= 376.43 : 0 (1/0)
|   |   |   VirtualLogP >= 1.83
|   |   |   |   FlexTorsions < 8.5
|   |   |   |   |   Lipole < 0.89 : 0 (2/0)
|   |   |   |   |   Lipole >= 0.89
|   |   |   |   |   |   LUMO_ENERGY < -0.94
|   |   |   |   |   |   |   Angles < 82.5 : 0 (2/0)
|   |   |   |   |   |   |   Angles >= 82.5 : 1 (1/0)
|   |   |   |   |   |   LUMO_ENERGY >= -0.94 : 1 (13/0)
|   |   |   |   FlexTorsions >= 8.5
|   |   |   |   |   Torsions < 18.5 : 1 (1/0)
|   |   |   |   |   Torsions >= 18.5 : 0 (12/0)
|   Psa >= 125.99
|   |   Sas < 816.97 : 0 (19/0)
|   |   Sas >= 816.97
|   |   |   Gyrrad < 6.41 : 0 (2/0)
|   |   |   Gyrrad >= 6.41 : 1 (3/0)

Size of the tree : 25


RandomTree
==========

VirtualLogP < 3.92
|   HbAcc < 5.5
|   |   Angles < 61 : 0 (4/0)
|   |   Angles >= 61
|   |   |   Sas < 663.23
|   |   |   |   Surface < 383.64
|   |   |   |   |   Torsions < 24
|   |   |   |   |   |   FlexTorsions < 8.5 : 1 (9/0)
|   |   |   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   |   |   |   Torsions >= 24 : 0 (2/0)
|   |   |   |   Surface >= 383.64 : 1 (17/0)
|   |   |   Sas >= 663.23
|   |   |   |   DIPOLE < 5.79
|   |   |   |   |   TOTAL_ENERGY < -5164.58
|   |   |   |   |   |   ELECTRONIC_ENERGY < -43051.96 : 0 (2/0)
|   |   |   |   |   |   ELECTRONIC_ENERGY >= -43051.96 : 1 (5/0)
|   |   |   |   |   TOTAL_ENERGY >= -5164.58 : 0 (15/0)
|   |   |   |   DIPOLE >= 5.79 : 1 (9/0)
|   HbAcc >= 5.5 : 0 (13/0)
VirtualLogP >= 3.92 : 1 (7/0)

Size of the tree : 21


RandomTree
==========

Ovality < 1.82
|   Bonds < 35.5 : 0 (5/0)
|   Bonds >= 35.5
|   |   Ovality < 1.78
|   |   |   Gyrrad < 4.82 : 1 (9/0)
|   |   |   Gyrrad >= 4.82
|   |   |   |   IONIZATION_POTENTIAL < 8.26 : 0 (6/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.26
|   |   |   |   |   Sav < 1002.61
|   |   |   |   |   |   Bonds < 42.5 : 1 (3/0)
|   |   |   |   |   |   Bonds >= 42.5 : 0 (4/0)
|   |   |   |   |   Sav >= 1002.61 : 1 (6/0)
|   |   Ovality >= 1.78 : 1 (12/0)
Ovality >= 1.82
|   VirtualLogP < 3.29 : 0 (26/0)
|   VirtualLogP >= 3.29
|   |   HOMO_ENERGY < -8.71 : 0 (5/0)
|   |   HOMO_ENERGY >= -8.71 : 1 (8/0)

Size of the tree : 19


RandomTree
==========

FlexTorsions < 9.5
|   Vdiam < 9.07
|   |   IONIZATION_POTENTIAL < 8.26
|   |   |   Mass < 343.42
|   |   |   |   Surface < 365.73 : 0 (2/0)
|   |   |   |   Surface >= 365.73 : 1 (4/0)
|   |   |   Mass >= 343.42
|   |   |   |   Dipole < 3.25 : 0 (7/0)
|   |   |   |   Dipole >= 3.25
|   |   |   |   |   Ovality < 1.76 : 1 (1/0)
|   |   |   |   |   Ovality >= 1.76 : 0 (1/0)
|   |   IONIZATION_POTENTIAL >= 8.26
|   |   |   HbTot < 9.5
|   |   |   |   Lipole < 4.17 : 1 (24/0)
|   |   |   |   Lipole >= 4.17
|   |   |   |   |   Dipole < 3.65 : 1 (1/0)
|   |   |   |   |   Dipole >= 3.65 : 0 (3/0)
|   |   |   HbTot >= 9.5 : 0 (3/0)
|   Vdiam >= 9.07 : 1 (11/0)
FlexTorsions >= 9.5
|   Sdiam < 12.5 : 0 (16/0)
|   Sdiam >= 12.5
|   |   ChiralAtms < 0.5 : 1 (4/0)
|   |   ChiralAtms >= 0.5 : 0 (7/0)

Size of the tree : 25


RandomTree
==========

FlexTorsions < 9.5
|   Volume < 391.43
|   |   Ovality < 1.66 : 0 (9/0)
|   |   Ovality >= 1.66
|   |   |   Gyrrad < 4.87 : 1 (14/0)
|   |   |   Gyrrad >= 4.87
|   |   |   |   HbTot < 8.5
|   |   |   |   |   Angles < 77.5
|   |   |   |   |   |   ELECTRONIC_ENERGY < -29645.45 : 0 (1/0)
|   |   |   |   |   |   ELECTRONIC_ENERGY >= -29645.45 : 1 (9/0)
|   |   |   |   |   Angles >= 77.5
|   |   |   |   |   |   VirtualLogP < 2.56 : 1 (3/0)
|   |   |   |   |   |   VirtualLogP >= 2.56 : 0 (6/0)
|   |   |   |   HbTot >= 8.5 : 0 (7/0)
|   Volume >= 391.43
|   |   Bonds < 64.5 : 1 (9/0)
|   |   Bonds >= 64.5
|   |   |   HbDon < 6.5 : 1 (4/0)
|   |   |   HbDon >= 6.5 : 0 (1/0)
FlexTorsions >= 9.5
|   COSMO_VOLUME < 446.87 : 1 (2/0)
|   COSMO_VOLUME >= 446.87 : 0 (19/0)

Size of the tree : 23


RandomTree
==========

HEAT_OF_FORMATION < 84.38
|   Sav < 1075.57
|   |   Angles < 69 : 0 (5/0)
|   |   Angles >= 69
|   |   |   Vdiam < 8.32
|   |   |   |   IONIZATION_POTENTIAL < 8.94 : 1 (5/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.94 : 0 (4/0)
|   |   |   Vdiam >= 8.32 : 1 (12/0)
|   Sav >= 1075.57
|   |   Dipole < 1.65 : 1 (3/0)
|   |   Dipole >= 1.65
|   |   |   DIPOLE < 6.56
|   |   |   |   HbDon < 2.5 : 1 (1/0)
|   |   |   |   HbDon >= 2.5 : 0 (31/0)
|   |   |   DIPOLE >= 6.56
|   |   |   |   DIPOLE < 8.74
|   |   |   |   |   ASA < 307.33
|   |   |   |   |   |   HbTot < 9.5 : 1 (1/0)
|   |   |   |   |   |   HbTot >= 9.5 : 0 (1/0)
|   |   |   |   |   ASA >= 307.33 : 1 (5/0)
|   |   |   |   DIPOLE >= 8.74 : 0 (5/0)
HEAT_OF_FORMATION >= 84.38
|   HbDon < 6.5 : 1 (10/0)
|   HbDon >= 6.5 : 0 (1/0)

Size of the tree : 25


RandomTree
==========

HEAT_OF_FORMATION < 100.96
|   HeavyAtoms < 26.5
|   |   Surface < 348.89 : 0 (8/0)
|   |   Surface >= 348.89
|   |   |   Sav < 975.29 : 1 (14/0)
|   |   |   Sav >= 975.29
|   |   |   |   Surface < 384.98 : 0 (10/0)
|   |   |   |   Surface >= 384.98
|   |   |   |   |   DIPOLE < 5.24 : 1 (5/0)
|   |   |   |   |   DIPOLE >= 5.24
|   |   |   |   |   |   Dipole < 3.72 : 0 (1/0)
|   |   |   |   |   |   Dipole >= 3.72 : 1 (1/0)
|   HeavyAtoms >= 26.5
|   |   VirtualLogP < 3.84
|   |   |   HEAT_OF_FORMATION < 69.82 : 0 (31/0)
|   |   |   HEAT_OF_FORMATION >= 69.82
|   |   |   |   Sas < 676.83 : 0 (2/0)
|   |   |   |   Sas >= 676.83 : 1 (2/0)
|   |   VirtualLogP >= 3.84 : 1 (4/0)
HEAT_OF_FORMATION >= 100.96 : 1 (6/0)

Size of the tree : 21


RandomTree
==========

LUMO_ENERGY < -1.58 : 1 (13/0)
LUMO_ENERGY >= -1.58
|   Torsions < 33.5
|   |   Dipole < 1.66 : 1 (4/0)
|   |   Dipole >= 1.66
|   |   |   Sas < 661.64
|   |   |   |   ASA < 235.22 : 0 (9/0)
|   |   |   |   ASA >= 235.22
|   |   |   |   |   Dipole < 2.24 : 0 (3/0)
|   |   |   |   |   Dipole >= 2.24
|   |   |   |   |   |   Psa < 99
|   |   |   |   |   |   |   Angles < 74 : 1 (2/0)
|   |   |   |   |   |   |   Angles >= 74
|   |   |   |   |   |   |   |   FlexTorsions < 7.5
|   |   |   |   |   |   |   |   |   Vdiam < 8.47 : 0 (1/0)
|   |   |   |   |   |   |   |   |   Vdiam >= 8.47 : 1 (2/0)
|   |   |   |   |   |   |   |   FlexTorsions >= 7.5 : 0 (1/0)
|   |   |   |   |   |   Psa >= 99 : 1 (11/0)
|   |   |   Sas >= 661.64
|   |   |   |   Angles < 108.5 : 0 (28/0)
|   |   |   |   Angles >= 108.5 : 1 (2/0)
|   Torsions >= 33.5
|   |   Gyrrad < 6.88 : 1 (7/0)
|   |   Gyrrad >= 6.88 : 0 (1/0)

Size of the tree : 25


RandomTree
==========

Sas < 787.26
|   IONIZATION_POTENTIAL < 8.19 : 0 (12/0)
|   IONIZATION_POTENTIAL >= 8.19
|   |   HEAT_OF_FORMATION < -137.14 : 1 (6/0)
|   |   HEAT_OF_FORMATION >= -137.14
|   |   |   Sas < 709.02
|   |   |   |   Ovality < 1.65 : 0 (6/0)
|   |   |   |   Ovality >= 1.65
|   |   |   |   |   LUMO_ENERGY < -0.87 : 1 (11/0)
|   |   |   |   |   LUMO_ENERGY >= -0.87
|   |   |   |   |   |   Sas < 618.27 : 1 (4/0)
|   |   |   |   |   |   Sas >= 618.27 : 0 (7/0)
|   |   |   Sas >= 709.02 : 0 (20/0)
Sas >= 787.26
|   HOMO_ENERGY < -8.82
|   |   Angles < 108.5 : 0 (3/0)
|   |   Angles >= 108.5 : 1 (3/0)
|   HOMO_ENERGY >= -8.82 : 1 (12/0)

Size of the tree : 19


RandomTree
==========

Gyrrad < 5.43
|   HeavyAtoms < 28.5
|   |   Bonds < 43.5
|   |   |   HOMO_ENERGY < -9.41 : 1 (2/0)
|   |   |   HOMO_ENERGY >= -9.41 : 0 (13/0)
|   |   Bonds >= 43.5
|   |   |   Gyrrad < 5.12 : 1 (9/0)
|   |   |   Gyrrad >= 5.12 : 0 (3/0)
|   HeavyAtoms >= 28.5 : 0 (14/0)
Gyrrad >= 5.43
|   Psa < 125.56
|   |   Torsions < 23.5 : 1 (10/0)
|   |   Torsions >= 23.5
|   |   |   Mass < 442.21
|   |   |   |   COSMO_AREA < 430.41
|   |   |   |   |   TOTAL_ENERGY < -4376.46 : 1 (5/0)
|   |   |   |   |   TOTAL_ENERGY >= -4376.46
|   |   |   |   |   |   Angles < 72.5 : 1 (2/0)
|   |   |   |   |   |   Angles >= 72.5 : 0 (2/0)
|   |   |   |   COSMO_AREA >= 430.41 : 0 (4/0)
|   |   |   Mass >= 442.21 : 1 (9/0)
|   Psa >= 125.56
|   |   Gyrrad < 7.08 : 0 (9/0)
|   |   Gyrrad >= 7.08
|   |   |   Gyrrad < 7.1 : 1 (1/0)
|   |   |   Gyrrad >= 7.1 : 0 (1/0)

Size of the tree : 27


RandomTree
==========

Ovality < 1.82
|   HbAcc < 2.5 : 0 (3/0)
|   HbAcc >= 2.5
|   |   DIPOLE < 5.56
|   |   |   Psa < 99
|   |   |   |   Bonds < 48.5 : 0 (6/0)
|   |   |   |   Bonds >= 48.5 : 1 (1/0)
|   |   |   Psa >= 99
|   |   |   |   ELECTRONIC_ENERGY < -30719.71
|   |   |   |   |   DIPOLE < 4.35 : 0 (4/0)
|   |   |   |   |   DIPOLE >= 4.35 : 1 (4/0)
|   |   |   |   ELECTRONIC_ENERGY >= -30719.71 : 1 (9/0)
|   |   DIPOLE >= 5.56 : 1 (18/0)
Ovality >= 1.82
|   Sav < 1332.84
|   |   VirtualLogP < 4.13 : 0 (26/0)
|   |   VirtualLogP >= 4.13 : 1 (1/0)
|   Sav >= 1332.84
|   |   DIPOLE < 4.92
|   |   |   HbDon < 4.5 : 0 (4/0)
|   |   |   HbDon >= 4.5 : 1 (1/0)
|   |   DIPOLE >= 4.92 : 1 (7/0)

Size of the tree : 23


RandomTree
==========

ELECTRONIC_ENERGY < -29645.45
|   ChiralAtms < 0.5
|   |   NO._OF_FILLED_LEVELS < 82.5
|   |   |   Vdiam < 8.83
|   |   |   |   ASA < 307.33 : 0 (5/0)
|   |   |   |   ASA >= 307.33 : 1 (4/0)
|   |   |   Vdiam >= 8.83 : 0 (8/0)
|   |   NO._OF_FILLED_LEVELS >= 82.5 : 1 (16/0)
|   ChiralAtms >= 0.5 : 0 (23/0)
ELECTRONIC_ENERGY >= -29645.45
|   IONIZATION_POTENTIAL < 9.2
|   |   Atoms < 45.5
|   |   |   Volume < 283.07
|   |   |   |   Psa < 79.43 : 0 (2/0)
|   |   |   |   Psa >= 79.43 : 1 (4/0)
|   |   |   Volume >= 283.07 : 0 (7/0)
|   |   Atoms >= 45.5 : 1 (7/0)
|   IONIZATION_POTENTIAL >= 9.2 : 1 (8/0)

Size of the tree : 19


RandomTree
==========

ChiralAtms < 0.5
|   Bonds < 61
|   |   HbTot < 9.5
|   |   |   LUMO_ENERGY < -1.22 : 1 (9/0)
|   |   |   LUMO_ENERGY >= -1.22
|   |   |   |   Lipole < 4.6
|   |   |   |   |   Lipole < 1.46
|   |   |   |   |   |   FlexTorsions < 7.5 : 0 (5/0)
|   |   |   |   |   |   FlexTorsions >= 7.5 : 1 (1/0)
|   |   |   |   |   Lipole >= 1.46
|   |   |   |   |   |   MOLECULAR_WEIGHT < 305.39 : 0 (3/0)
|   |   |   |   |   |   MOLECULAR_WEIGHT >= 305.39
|   |   |   |   |   |   |   Charge < -0.5 : 0 (1/0)
|   |   |   |   |   |   |   Charge >= -0.5 : 1 (14/0)
|   |   |   |   Lipole >= 4.6 : 0 (5/0)
|   |   HbTot >= 9.5 : 0 (7/0)
|   Bonds >= 61 : 1 (13/0)
ChiralAtms >= 0.5
|   HbAcc < 4.5
|   |   EzBnds < 1 : 0 (2/0)
|   |   EzBnds >= 1 : 1 (5/0)
|   HbAcc >= 4.5 : 0 (19/0)

Size of the tree : 23


RandomTree
==========

Lipole < 2.83
|   Psa < 125.27
|   |   Lipole < 1.13
|   |   |   HbAcc < 4.5 : 0 (1/0)
|   |   |   HbAcc >= 4.5 : 1 (2/0)
|   |   Lipole >= 1.13 : 1 (22/0)
|   Psa >= 125.27
|   |   Gyrrad < 5.64 : 1 (3/0)
|   |   Gyrrad >= 5.64 : 0 (7/0)
Lipole >= 2.83
|   HEAT_OF_FORMATION < 65.54
|   |   HbTot < 6.5
|   |   |   Ovality < 1.64 : 0 (4/0)
|   |   |   Ovality >= 1.64
|   |   |   |   Impropers < 10.5
|   |   |   |   |   HbTot < 5.5 : 1 (1/0)
|   |   |   |   |   HbTot >= 5.5 : 0 (1/0)
|   |   |   |   Impropers >= 10.5 : 1 (6/0)
|   |   HbTot >= 6.5
|   |   |   HOMO_ENERGY < -8.75 : 0 (25/0)
|   |   |   HOMO_ENERGY >= -8.75
|   |   |   |   Dipole < 2.53 : 1 (2/0)
|   |   |   |   Dipole >= 2.53 : 0 (5/0)
|   HEAT_OF_FORMATION >= 65.54 : 1 (5/0)

Size of the tree : 25


RandomTree
==========

LUMO_ENERGY < -1.6 : 1 (11/0)
LUMO_ENERGY >= -1.6
|   HOMO_ENERGY < -8.82
|   |   Lipole < 2.86 : 1 (5/0)
|   |   Lipole >= 2.86
|   |   |   HbTot < 10.5
|   |   |   |   Volume < 289.65
|   |   |   |   |   Bonds < 35.5 : 0 (4/0)
|   |   |   |   |   Bonds >= 35.5 : 1 (2/0)
|   |   |   |   Volume >= 289.65 : 0 (18/0)
|   |   |   HbTot >= 10.5 : 1 (1/0)
|   HOMO_ENERGY >= -8.82
|   |   Torsions < 23.5 : 1 (9/0)
|   |   Torsions >= 23.5
|   |   |   Atoms < 57.5
|   |   |   |   Lipole < 1.46 : 0 (6/0)
|   |   |   |   Lipole >= 1.46
|   |   |   |   |   Atoms < 50.5
|   |   |   |   |   |   ELECTRONIC_ENERGY < -30886.7 : 1 (4/0)
|   |   |   |   |   |   ELECTRONIC_ENERGY >= -30886.7
|   |   |   |   |   |   |   Atoms < 44.5 : 1 (1/0)
|   |   |   |   |   |   |   Atoms >= 44.5 : 0 (1/0)
|   |   |   |   |   Atoms >= 50.5
|   |   |   |   |   |   Dipole < 2.29 : 1 (1/0)
|   |   |   |   |   |   Dipole >= 2.29 : 0 (5/0)
|   |   |   Atoms >= 57.5
|   |   |   |   VirtualLogP < 3.29 : 0 (2/0)
|   |   |   |   VirtualLogP >= 3.29 : 1 (14/0)

Size of the tree : 29


RandomTree
==========

Dipole < 1.77 : 1 (7/0)
Dipole >= 1.77
|   HEAT_OF_FORMATION < 100.02
|   |   HbTot < 5.5 : 0 (12/0)
|   |   HbTot >= 5.5
|   |   |   Sav < 1154.09
|   |   |   |   HEAT_OF_FORMATION < -63.72 : 1 (7/0)
|   |   |   |   HEAT_OF_FORMATION >= -63.72
|   |   |   |   |   Rings < 3.5
|   |   |   |   |   |   Sdiam < 11.05
|   |   |   |   |   |   |   HeavyAtoms < 22 : 1 (2/0)
|   |   |   |   |   |   |   HeavyAtoms >= 22 : 0 (5/0)
|   |   |   |   |   |   Sdiam >= 11.05
|   |   |   |   |   |   |   FlexTorsions < 8.5 : 1 (6/0)
|   |   |   |   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   |   |   |   Rings >= 3.5 : 0 (2/0)
|   |   |   Sav >= 1154.09
|   |   |   |   Sas < 805.64 : 0 (27/0)
|   |   |   |   Sas >= 805.64
|   |   |   |   |   Vdiam < 9.36 : 1 (5/0)
|   |   |   |   |   Vdiam >= 9.36 : 0 (3/0)
|   HEAT_OF_FORMATION >= 100.02 : 1 (7/0)

Size of the tree : 23


RandomTree
==========

Ovality < 1.85
|   Ovality < 1.66 : 0 (9/0)
|   Ovality >= 1.66
|   |   Sdiam < 10.92 : 1 (11/0)
|   |   Sdiam >= 10.92
|   |   |   TOTAL_ENERGY < -3732.69
|   |   |   |   Gyrrad < 5.6
|   |   |   |   |   VirtualLogP < 2.66
|   |   |   |   |   |   HbTot < 8.5 : 1 (3/0)
|   |   |   |   |   |   HbTot >= 8.5 : 0 (2/0)
|   |   |   |   |   VirtualLogP >= 2.66 : 0 (5/0)
|   |   |   |   Gyrrad >= 5.6
|   |   |   |   |   ELECTRONIC_ENERGY < -40948.22
|   |   |   |   |   |   Bonds < 61.5 : 0 (1/0)
|   |   |   |   |   |   Bonds >= 61.5 : 1 (5/0)
|   |   |   |   |   ELECTRONIC_ENERGY >= -40948.22 : 1 (14/0)
|   |   |   TOTAL_ENERGY >= -3732.69 : 0 (5/0)
Ovality >= 1.85
|   FlexTorsions < 9.5 : 1 (4/0)
|   FlexTorsions >= 9.5
|   |   VirtualLogP < 3.79
|   |   |   Gyrrad < 6.75 : 0 (21/0)
|   |   |   Gyrrad >= 6.75
|   |   |   |   HeavyAtoms < 31.5 : 0 (2/0)
|   |   |   |   HeavyAtoms >= 31.5 : 1 (1/0)
|   |   VirtualLogP >= 3.79 : 1 (1/0)

Size of the tree : 27


RandomTree
==========

Bonds < 35.5 : 0 (9/0)
Bonds >= 35.5
|   Sav < 975.29 : 1 (10/0)
|   Sav >= 975.29
|   |   VirtualLogP < 3.92
|   |   |   Dipole < 5.97
|   |   |   |   COSMO_AREA < 474.62
|   |   |   |   |   Sav < 1154.09
|   |   |   |   |   |   Angles < 82
|   |   |   |   |   |   |   Gyrrad < 5.73 : 0 (9/0)
|   |   |   |   |   |   |   Gyrrad >= 5.73 : 1 (2/0)
|   |   |   |   |   |   Angles >= 82 : 1 (7/0)
|   |   |   |   |   Sav >= 1154.09 : 0 (25/0)
|   |   |   |   COSMO_AREA >= 474.62
|   |   |   |   |   Angles < 110 : 1 (5/0)
|   |   |   |   |   Angles >= 110
|   |   |   |   |   |   Atoms < 66.5 : 0 (2/0)
|   |   |   |   |   |   Atoms >= 66.5 : 1 (1/0)
|   |   |   Dipole >= 5.97 : 1 (6/0)
|   |   VirtualLogP >= 3.92 : 1 (8/0)

Size of the tree : 21


RandomTree
==========

FlexTorsions < 9.5
|   ELECTRONIC_ENERGY < -21236.82
|   |   ASA < 277.86 : 1 (14/0)
|   |   ASA >= 277.86
|   |   |   Psa < 130.66
|   |   |   |   Angles < 96.5
|   |   |   |   |   Vdiam < 8.28 : 1 (4/0)
|   |   |   |   |   Vdiam >= 8.28
|   |   |   |   |   |   FlexTorsions < 5.5 : 0 (4/0)
|   |   |   |   |   |   FlexTorsions >= 5.5
|   |   |   |   |   |   |   LUMO_ENERGY < -0.85
|   |   |   |   |   |   |   |   Lipole < 3.62 : 1 (7/0)
|   |   |   |   |   |   |   |   Lipole >= 3.62 : 0 (1/0)
|   |   |   |   |   |   |   LUMO_ENERGY >= -0.85
|   |   |   |   |   |   |   |   DIPOLE < 7.94 : 0 (5/0)
|   |   |   |   |   |   |   |   DIPOLE >= 7.94 : 1 (2/0)
|   |   |   |   Angles >= 96.5 : 1 (11/0)
|   |   |   Psa >= 130.66 : 0 (3/0)
|   ELECTRONIC_ENERGY >= -21236.82 : 0 (6/0)
FlexTorsions >= 9.5
|   COSMO_AREA < 425.01 : 1 (2/0)
|   COSMO_AREA >= 425.01
|   |   Atoms < 72 : 0 (24/0)
|   |   Atoms >= 72 : 1 (1/0)

Size of the tree : 25


RandomTree
==========

Torsions < 36.5
|   Sav < 1154.09
|   |   Bonds < 35.5 : 0 (5/0)
|   |   Bonds >= 35.5
|   |   |   HOMO_ENERGY < -8.24
|   |   |   |   HbTot < 9.5
|   |   |   |   |   Gyrrad < 5.72 : 1 (31/0)
|   |   |   |   |   Gyrrad >= 5.72
|   |   |   |   |   |   Atoms < 46 : 0 (1/0)
|   |   |   |   |   |   Atoms >= 46 : 1 (1/0)
|   |   |   |   HbTot >= 9.5 : 0 (1/0)
|   |   |   HOMO_ENERGY >= -8.24
|   |   |   |   DIPOLE < 4.53 : 1 (3/0)
|   |   |   |   DIPOLE >= 4.53
|   |   |   |   |   Sas < 687.87 : 0 (4/0)
|   |   |   |   |   Sas >= 687.87 : 1 (1/0)
|   Sav >= 1154.09
|   |   ChiralAtms < 0.5
|   |   |   Bonds < 58.5 : 0 (7/0)
|   |   |   Bonds >= 58.5
|   |   |   |   Ovality < 1.83
|   |   |   |   |   HbDon < 5.5 : 1 (1/0)
|   |   |   |   |   HbDon >= 5.5 : 0 (1/0)
|   |   |   |   Ovality >= 1.83 : 1 (6/0)
|   |   ChiralAtms >= 0.5 : 0 (13/0)
Torsions >= 36.5 : 1 (9/0)

Size of the tree : 27


RandomTree
==========

Sav < 1166.41
|   Lipole < 3.59
|   |   Torsions < 24.5 : 1 (22/0)
|   |   Torsions >= 24.5
|   |   |   IONIZATION_POTENTIAL < 8.26 : 0 (4/0)
|   |   |   IONIZATION_POTENTIAL >= 8.26
|   |   |   |   Ovality < 1.82 : 1 (7/0)
|   |   |   |   Ovality >= 1.82 : 0 (1/0)
|   Lipole >= 3.59
|   |   ChiralAtms < 0.5
|   |   |   Angles < 62.5 : 0 (3/0)
|   |   |   Angles >= 62.5
|   |   |   |   Angles < 71.5 : 1 (1/0)
|   |   |   |   Angles >= 71.5 : 0 (3/0)
|   |   ChiralAtms >= 0.5 : 1 (1/0)
Sav >= 1166.41
|   Sas < 787.26 : 0 (28/0)
|   Sas >= 787.26
|   |   Atoms < 60.5 : 1 (9/0)
|   |   Atoms >= 60.5
|   |   |   Atoms < 66.5 : 0 (3/0)
|   |   |   Atoms >= 66.5 : 1 (2/0)

Size of the tree : 23


RandomTree
==========

LUMO_ENERGY < -1.6 : 1 (12/0)
LUMO_ENERGY >= -1.6
|   Torsions < 36.5
|   |   FlexTorsions < 9.5
|   |   |   IONIZATION_POTENTIAL < 8.26
|   |   |   |   VirtualLogP < 3.19
|   |   |   |   |   HeavyAtoms < 23
|   |   |   |   |   |   Charge < -0.5 : 0 (2/0)
|   |   |   |   |   |   Charge >= -0.5 : 1 (1/0)
|   |   |   |   |   HeavyAtoms >= 23 : 0 (8/0)
|   |   |   |   VirtualLogP >= 3.19 : 1 (2/0)
|   |   |   IONIZATION_POTENTIAL >= 8.26
|   |   |   |   HbAcc < 5.5
|   |   |   |   |   LUMO_ENERGY < -0.83 : 1 (11/0)
|   |   |   |   |   LUMO_ENERGY >= -0.83
|   |   |   |   |   |   Bonds < 50
|   |   |   |   |   |   |   HEAT_OF_FORMATION < -82.27 : 1 (4/0)
|   |   |   |   |   |   |   HEAT_OF_FORMATION >= -82.27
|   |   |   |   |   |   |   |   HEAT_OF_FORMATION < 16.64 : 0 (2/0)
|   |   |   |   |   |   |   |   HEAT_OF_FORMATION >= 16.64 : 1 (2/0)
|   |   |   |   |   |   Bonds >= 50 : 0 (2/0)
|   |   |   |   HbAcc >= 5.5 : 0 (2/0)
|   |   FlexTorsions >= 9.5
|   |   |   Psa < 146.16 : 0 (25/0)
|   |   |   Psa >= 146.16 : 1 (1/0)
|   Torsions >= 36.5 : 1 (10/0)

Size of the tree : 27


RandomTree
==========

Dipole < 3.73
|   ChiralAtms < 0.5
|   |   Volume < 391.31
|   |   |   ASA < 277.86
|   |   |   |   Mass < 270.28 : 0 (5/0)
|   |   |   |   Mass >= 270.28
|   |   |   |   |   HbDon < 3.5 : 1 (8/0)
|   |   |   |   |   HbDon >= 3.5
|   |   |   |   |   |   Gyrrad < 4.47 : 1 (1/0)
|   |   |   |   |   |   Gyrrad >= 4.47 : 0 (2/0)
|   |   |   ASA >= 277.86
|   |   |   |   Lipole < 0.87
|   |   |   |   |   Lipole < 0.62 : 0 (1/0)
|   |   |   |   |   Lipole >= 0.62 : 1 (1/0)
|   |   |   |   Lipole >= 0.87 : 0 (12/0)
|   |   Volume >= 391.31
|   |   |   DIPOLE < 5.38 : 1 (8/0)
|   |   |   DIPOLE >= 5.38
|   |   |   |   Vdiam < 9.3 : 1 (3/0)
|   |   |   |   Vdiam >= 9.3 : 0 (1/0)
|   ChiralAtms >= 0.5 : 0 (18/0)
Dipole >= 3.73
|   Ovality < 1.83
|   |   Angles < 62.5 : 0 (2/0)
|   |   Angles >= 62.5
|   |   |   TOTAL_ENERGY < -3731.86 : 1 (16/0)
|   |   |   TOTAL_ENERGY >= -3731.86 : 0 (1/0)
|   Ovality >= 1.83
|   |   LUMO_ENERGY < -2.62 : 1 (1/0)
|   |   LUMO_ENERGY >= -2.62 : 0 (4/0)

Size of the tree : 31


RandomTree
==========

FlexTorsions < 9.5
|   Mass < 432.99
|   |   LUMO_ENERGY < -0.91
|   |   |   Surface < 449.64
|   |   |   |   FlexTorsions < 8.5 : 1 (16/0)
|   |   |   |   FlexTorsions >= 8.5
|   |   |   |   |   Mass < 362.88 : 1 (3/0)
|   |   |   |   |   Mass >= 362.88 : 0 (1/0)
|   |   |   Surface >= 449.64 : 0 (1/0)
|   |   LUMO_ENERGY >= -0.91
|   |   |   Bonds < 48.5
|   |   |   |   Psa < 99.06
|   |   |   |   |   DIPOLE < 5.83
|   |   |   |   |   |   Sdiam < 9.79 : 1 (1/0)
|   |   |   |   |   |   Sdiam >= 9.79 : 0 (6/0)
|   |   |   |   |   DIPOLE >= 5.83
|   |   |   |   |   |   Ovality < 1.58 : 0 (1/0)
|   |   |   |   |   |   Ovality >= 1.58 : 1 (5/0)
|   |   |   |   Psa >= 99.06 : 1 (8/0)
|   |   |   Bonds >= 48.5 : 0 (8/0)
|   Mass >= 432.99 : 1 (11/0)
FlexTorsions >= 9.5
|   COSMO_AREA < 488.01
|   |   HbDon < 3.5
|   |   |   Gyrrad < 6.6 : 1 (1/0)
|   |   |   Gyrrad >= 6.6 : 0 (1/0)
|   |   HbDon >= 3.5 : 0 (17/0)
|   COSMO_AREA >= 488.01
|   |   DIPOLE < 6.82 : 0 (1/0)
|   |   DIPOLE >= 6.82 : 1 (3/0)

Size of the tree : 31


RandomTree
==========

VirtualLogP < 4.19
|   Atoms < 50.5
|   |   Angles < 78.5
|   |   |   Gyrrad < 5.73
|   |   |   |   Sav < 968.15
|   |   |   |   |   Mass < 270.28 : 0 (4/0)
|   |   |   |   |   Mass >= 270.28 : 1 (6/0)
|   |   |   |   Sav >= 968.15 : 0 (10/0)
|   |   |   Gyrrad >= 5.73 : 1 (4/0)
|   |   Angles >= 78.5 : 1 (13/0)
|   Atoms >= 50.5
|   |   Dipole < 2.29 : 1 (7/0)
|   |   Dipole >= 2.29
|   |   |   Angles < 108.5
|   |   |   |   Surface < 433.56
|   |   |   |   |   Sav < 1069.06 : 1 (1/0)
|   |   |   |   |   Sav >= 1069.06 : 0 (2/0)
|   |   |   |   Surface >= 433.56 : 0 (26/0)
|   |   |   Angles >= 108.5
|   |   |   |   Gyrrad < 5.83 : 0 (2/0)
|   |   |   |   Gyrrad >= 5.83 : 1 (3/0)
VirtualLogP >= 4.19 : 1 (6/0)

Size of the tree : 23


RandomTree
==========

FlexTorsions < 8.5
|   Lipole < 1.46
|   |   VirtualLogP < 3
|   |   |   Dipole < 4.06 : 0 (11/0)
|   |   |   Dipole >= 4.06 : 1 (1/0)
|   |   VirtualLogP >= 3 : 1 (3/0)
|   Lipole >= 1.46
|   |   IONIZATION_POTENTIAL < 8.19 : 0 (5/0)
|   |   IONIZATION_POTENTIAL >= 8.19
|   |   |   HbDon < 2.5
|   |   |   |   HEAT_OF_FORMATION < 12.97
|   |   |   |   |   HEAT_OF_FORMATION < -38.37 : 1 (2/0)
|   |   |   |   |   HEAT_OF_FORMATION >= -38.37 : 0 (2/0)
|   |   |   |   HEAT_OF_FORMATION >= 12.97 : 1 (5/0)
|   |   |   HbDon >= 2.5 : 1 (28/0)
FlexTorsions >= 8.5
|   Psa < 146.16
|   |   HbAcc < 3.5 : 1 (1/0)
|   |   HbAcc >= 3.5
|   |   |   HOMO_ENERGY < -8.38 : 0 (23/0)
|   |   |   HOMO_ENERGY >= -8.38
|   |   |   |   Dipole < 27.93 : 1 (1/0)
|   |   |   |   Dipole >= 27.93 : 0 (1/0)
|   Psa >= 146.16 : 1 (1/0)

Size of the tree : 25


RandomTree
==========

Torsions < 33.5
|   COSMO_AREA < 427.06
|   |   Angles < 80.5
|   |   |   Vdiam < 8.45
|   |   |   |   IONIZATION_POTENTIAL < 8.94 : 1 (5/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.94
|   |   |   |   |   HbDon < 2.5 : 0 (3/0)
|   |   |   |   |   HbDon >= 2.5
|   |   |   |   |   |   Angles < 68.5 : 1 (1/0)
|   |   |   |   |   |   Angles >= 68.5 : 0 (1/0)
|   |   |   Vdiam >= 8.45 : 0 (4/0)
|   |   Angles >= 80.5 : 1 (16/0)
|   COSMO_AREA >= 427.06
|   |   Sas < 794.13 : 0 (26/0)
|   |   Sas >= 794.13
|   |   |   LUMO_ENERGY < -1.14 : 0 (3/0)
|   |   |   LUMO_ENERGY >= -1.14 : 1 (4/0)
Torsions >= 33.5
|   Psa < 128.04 : 1 (14/0)
|   Psa >= 128.04
|   |   Gyrrad < 5.69 : 0 (1/0)
|   |   Gyrrad >= 5.69
|   |   |   Torsions < 37.5 : 1 (4/0)
|   |   |   Torsions >= 37.5
|   |   |   |   Bonds < 75.5 : 0 (1/0)
|   |   |   |   Bonds >= 75.5 : 1 (1/0)

Size of the tree : 27


RandomTree
==========

LUMO_ENERGY < -1.58 : 1 (7/0)
LUMO_ENERGY >= -1.58
|   Torsions < 36.5
|   |   Sav < 1042.39
|   |   |   Psa < 85.29
|   |   |   |   Ovality < 1.65 : 0 (9/0)
|   |   |   |   Ovality >= 1.65 : 1 (4/0)
|   |   |   Psa >= 85.29 : 1 (12/0)
|   |   Sav >= 1042.39
|   |   |   Sas < 787.48
|   |   |   |   Angles < 86.5
|   |   |   |   |   Mass < 385.42 : 0 (6/0)
|   |   |   |   |   Mass >= 385.42 : 1 (1/0)
|   |   |   |   Angles >= 86.5 : 0 (27/0)
|   |   |   Sas >= 787.48
|   |   |   |   Bonds < 63.5 : 1 (6/0)
|   |   |   |   Bonds >= 63.5 : 0 (4/0)
|   Torsions >= 36.5 : 1 (8/0)

Size of the tree : 19


RandomTree
==========

Ovality < 1.66 : 0 (8/0)
Ovality >= 1.66
|   LUMO_ENERGY < -1.58 : 1 (13/0)
|   LUMO_ENERGY >= -1.58
|   |   FlexTorsions < 8.5
|   |   |   Lipole < 1.48
|   |   |   |   Gyrrad < 4.66 : 1 (1/0)
|   |   |   |   Gyrrad >= 4.66 : 0 (5/0)
|   |   |   Lipole >= 1.48
|   |   |   |   HOMO_ENERGY < -8.23 : 1 (23/0)
|   |   |   |   HOMO_ENERGY >= -8.23
|   |   |   |   |   Gyrrad < 6.26 : 0 (2/0)
|   |   |   |   |   Gyrrad >= 6.26
|   |   |   |   |   |   Bonds < 63.5 : 1 (1/0)
|   |   |   |   |   |   Bonds >= 63.5 : 0 (1/0)
|   |   FlexTorsions >= 8.5
|   |   |   VirtualLogP < 2.28 : 0 (11/0)
|   |   |   VirtualLogP >= 2.28
|   |   |   |   Lipole < 3.14 : 1 (3/0)
|   |   |   |   Lipole >= 3.14
|   |   |   |   |   VirtualLogP < 3.84
|   |   |   |   |   |   IONIZATION_POTENTIAL < 8.33 : 1 (1/0)
|   |   |   |   |   |   IONIZATION_POTENTIAL >= 8.33
|   |   |   |   |   |   |   HbAcc < 6.5 : 0 (12/0)
|   |   |   |   |   |   |   HbAcc >= 6.5 : 1 (1/0)
|   |   |   |   |   VirtualLogP >= 3.84 : 1 (2/0)

Size of the tree : 27


RandomTree
==========

Gyrrad < 4.87
|   Impropers < 4.5 : 0 (1/0)
|   Impropers >= 4.5 : 1 (15/0)
Gyrrad >= 4.87
|   Sas < 816.97
|   |   Surface < 501.9
|   |   |   Volume < 399.26
|   |   |   |   Gyrrad < 5.36 : 0 (16/0)
|   |   |   |   Gyrrad >= 5.36
|   |   |   |   |   Angles < 87
|   |   |   |   |   |   Atoms < 46.5
|   |   |   |   |   |   |   VirtualLogP < 2.5 : 0 (2/0)
|   |   |   |   |   |   |   VirtualLogP >= 2.5 : 1 (4/0)
|   |   |   |   |   |   Atoms >= 46.5 : 1 (7/0)
|   |   |   |   |   Angles >= 87
|   |   |   |   |   |   Dipole < 6.47 : 0 (11/0)
|   |   |   |   |   |   Dipole >= 6.47
|   |   |   |   |   |   |   Mass < 411.45 : 1 (3/0)
|   |   |   |   |   |   |   Mass >= 411.45 : 0 (1/0)
|   |   |   Volume >= 399.26 : 1 (6/0)
|   |   Surface >= 501.9 : 0 (9/0)
|   Sas >= 816.97
|   |   ChiralAtms < 0.5 : 1 (8/0)
|   |   ChiralAtms >= 0.5 : 0 (1/0)

Size of the tree : 25


RandomTree
==========

Ovality < 1.83
|   ELECTRONIC_ENERGY < -21236.82
|   |   HbDon < 6.5
|   |   |   DIPOLE < 3.91
|   |   |   |   Mass < 341.38 : 1 (5/0)
|   |   |   |   Mass >= 341.38 : 0 (3/0)
|   |   |   DIPOLE >= 3.91
|   |   |   |   Sdiam < 11.21
|   |   |   |   |   FlexTorsions < 8.5
|   |   |   |   |   |   Volume < 313.12 : 1 (16/0)
|   |   |   |   |   |   Volume >= 313.12 : 0 (1/0)
|   |   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   |   |   Sdiam >= 11.21 : 1 (15/0)
|   |   HbDon >= 6.5 : 0 (2/0)
|   ELECTRONIC_ENERGY >= -21236.82 : 0 (4/0)
Ovality >= 1.83
|   Mass < 440.99 : 0 (27/0)
|   Mass >= 440.99
|   |   Gyrrad < 5.88 : 0 (3/0)
|   |   Gyrrad >= 5.88
|   |   |   IONIZATION_POTENTIAL < 8.22 : 0 (1/0)
|   |   |   IONIZATION_POTENTIAL >= 8.22 : 1 (6/0)

Size of the tree : 23


RandomTree
==========

HEAT_OF_FORMATION < 91.96
|   Sas < 661.64
|   |   Volume < 285.95
|   |   |   LUMO_ENERGY < -0.3 : 0 (4/0)
|   |   |   LUMO_ENERGY >= -0.3 : 1 (1/0)
|   |   Volume >= 285.95
|   |   |   DIPOLE < 4.08
|   |   |   |   Surface < 384.31
|   |   |   |   |   Impropers < 9 : 1 (1/0)
|   |   |   |   |   Impropers >= 9 : 0 (1/0)
|   |   |   |   Surface >= 384.31 : 1 (3/0)
|   |   |   DIPOLE >= 4.08 : 1 (19/0)
|   Sas >= 661.64
|   |   Gyrrad < 6.01 : 0 (25/0)
|   |   Gyrrad >= 6.01
|   |   |   VirtualLogP < 3.34
|   |   |   |   Atoms < 61.5 : 0 (5/0)
|   |   |   |   Atoms >= 61.5 : 1 (1/0)
|   |   |   VirtualLogP >= 3.34 : 1 (9/0)
HEAT_OF_FORMATION >= 91.96 : 1 (15/0)

Size of the tree : 21


RandomTree
==========

COSMO_AREA < 428.45
|   Sdiam < 10.03 : 0 (8/0)
|   Sdiam >= 10.03
|   |   Angles < 80.5
|   |   |   COSMO_AREA < 363.04
|   |   |   |   HbDon < 3.5 : 1 (9/0)
|   |   |   |   HbDon >= 3.5 : 0 (1/0)
|   |   |   COSMO_AREA >= 363.04
|   |   |   |   Ovality < 1.7 : 1 (1/0)
|   |   |   |   Ovality >= 1.7
|   |   |   |   |   Gyrrad < 5.18
|   |   |   |   |   |   FlexTorsions < 7 : 1 (1/0)
|   |   |   |   |   |   FlexTorsions >= 7 : 0 (1/0)
|   |   |   |   |   Gyrrad >= 5.18 : 0 (8/0)
|   |   Angles >= 80.5
|   |   |   Lipole < 5.1 : 1 (17/0)
|   |   |   Lipole >= 5.1 : 0 (1/0)
COSMO_AREA >= 428.45
|   Mass < 445.91 : 0 (24/0)
|   Mass >= 445.91
|   |   ChiralAtms < 0.5 : 1 (8/0)
|   |   ChiralAtms >= 0.5 : 0 (5/0)

Size of the tree : 23


RandomTree
==========

Dipole < 4.65
|   COSMO_VOLUME < 471.31
|   |   Angles < 80.5
|   |   |   Gyrrad < 3.84 : 1 (2/0)
|   |   |   Gyrrad >= 3.84 : 0 (12/0)
|   |   Angles >= 80.5 : 1 (10/0)
|   COSMO_VOLUME >= 471.31
|   |   Sas < 780.91 : 0 (26/0)
|   |   Sas >= 780.91
|   |   |   Mass < 497.04
|   |   |   |   Dipole < 2.32 : 1 (2/0)
|   |   |   |   Dipole >= 2.32 : 0 (7/0)
|   |   |   Mass >= 497.04 : 1 (4/0)
Dipole >= 4.65
|   HEAT_OF_FORMATION < -10.53
|   |   Angles < 87
|   |   |   Gyrrad < 3.64 : 0 (1/0)
|   |   |   Gyrrad >= 3.64 : 1 (5/0)
|   |   Angles >= 87 : 0 (5/0)
|   HEAT_OF_FORMATION >= -10.53 : 1 (10/0)

Size of the tree : 21


RandomTree
==========

Ovality < 1.82
|   Sdiam < 11.05
|   |   COSMO_AREA < 365.63
|   |   |   HbTot < 5.5
|   |   |   |   Sdiam < 10.28 : 0 (2/0)
|   |   |   |   Sdiam >= 10.28 : 1 (2/0)
|   |   |   HbTot >= 5.5 : 1 (12/0)
|   |   COSMO_AREA >= 365.63 : 0 (5/0)
|   Sdiam >= 11.05
|   |   Ovality < 1.82 : 1 (24/0)
|   |   Ovality >= 1.82
|   |   |   Gyrrad < 6.26 : 0 (1/0)
|   |   |   Gyrrad >= 6.26 : 1 (2/0)
Ovality >= 1.82
|   Sas < 816.97 : 0 (31/0)
|   Sas >= 816.97
|   |   FlexTorsions < 11.5
|   |   |   Atoms < 62.5 : 1 (2/0)
|   |   |   Atoms >= 62.5 : 0 (1/0)
|   |   FlexTorsions >= 11.5 : 0 (2/0)

Size of the tree : 21


RandomTree
==========

MOLECULAR_WEIGHT < 348.9
|   Dipole < 2.98 : 1 (8/0)
|   Dipole >= 2.98
|   |   Sdiam < 10.54 : 0 (5/0)
|   |   Sdiam >= 10.54
|   |   |   ASA < 303.36 : 1 (10/0)
|   |   |   ASA >= 303.36 : 0 (1/0)
MOLECULAR_WEIGHT >= 348.9
|   Sas < 709.02
|   |   Vdiam < 8.57 : 0 (4/0)
|   |   Vdiam >= 8.57
|   |   |   Rings < 2.5 : 0 (1/0)
|   |   |   Rings >= 2.5 : 1 (9/0)
|   Sas >= 709.02
|   |   Sas < 787.26 : 0 (32/0)
|   |   Sas >= 787.26
|   |   |   ChiralAtms < 0.5 : 1 (6/0)
|   |   |   ChiralAtms >= 0.5
|   |   |   |   EzBnds < 1 : 0 (7/0)
|   |   |   |   EzBnds >= 1 : 1 (1/0)

Size of the tree : 21


RandomTree
==========

Impropers < 13.5
|   IONIZATION_POTENTIAL < 8.26
|   |   Angles < 82 : 0 (6/0)
|   |   Angles >= 82 : 1 (2/0)
|   IONIZATION_POTENTIAL >= 8.26
|   |   Gyrrad < 5.2
|   |   |   HbDon < 2.5 : 0 (3/0)
|   |   |   HbDon >= 2.5 : 1 (4/0)
|   |   Gyrrad >= 5.2 : 1 (15/0)
Impropers >= 13.5
|   Angles < 108.5
|   |   Psa < 125.56
|   |   |   Psa < 83 : 0 (6/0)
|   |   |   Psa >= 83
|   |   |   |   FlexTorsions < 9.5
|   |   |   |   |   HbAcc < 4.5
|   |   |   |   |   |   EzBnds < 0.5 : 1 (8/0)
|   |   |   |   |   |   EzBnds >= 0.5
|   |   |   |   |   |   |   Dipole < 3.37 : 1 (2/0)
|   |   |   |   |   |   |   Dipole >= 3.37 : 0 (2/0)
|   |   |   |   |   HbAcc >= 4.5 : 0 (1/0)
|   |   |   |   FlexTorsions >= 9.5 : 0 (6/0)
|   |   Psa >= 125.56 : 0 (23/0)
|   Angles >= 108.5
|   |   Lipole < 2.95 : 1 (3/0)
|   |   Lipole >= 2.95
|   |   |   Atoms < 62.5 : 1 (2/0)
|   |   |   Atoms >= 62.5 : 0 (1/0)

Size of the tree : 29


RandomTree
==========

LUMO_ENERGY < -1.6 : 1 (9/0)
LUMO_ENERGY >= -1.6
|   HOMO_ENERGY < -8.74
|   |   Mass < 362.88
|   |   |   Mass < 270.28 : 0 (2/0)
|   |   |   Mass >= 270.28
|   |   |   |   COSMO_AREA < 363.92 : 1 (6/0)
|   |   |   |   COSMO_AREA >= 363.92 : 0 (1/0)
|   |   Mass >= 362.88
|   |   |   HbTot < 10.5 : 0 (31/0)
|   |   |   HbTot >= 10.5 : 1 (1/0)
|   HOMO_ENERGY >= -8.74
|   |   TOTAL_ENERGY < -5337.18 : 1 (9/0)
|   |   TOTAL_ENERGY >= -5337.18
|   |   |   Torsions < 22.5 : 1 (7/0)
|   |   |   Torsions >= 22.5
|   |   |   |   HEAT_OF_FORMATION < 100.02
|   |   |   |   |   LUMO_ENERGY < -0.86
|   |   |   |   |   |   Mass < 335.89 : 0 (2/0)
|   |   |   |   |   |   Mass >= 335.89
|   |   |   |   |   |   |   Angles < 76
|   |   |   |   |   |   |   |   Lipole < 2.08 : 0 (1/0)
|   |   |   |   |   |   |   |   Lipole >= 2.08 : 1 (1/0)
|   |   |   |   |   |   |   Angles >= 76 : 1 (3/0)
|   |   |   |   |   LUMO_ENERGY >= -0.86 : 0 (7/0)
|   |   |   |   HEAT_OF_FORMATION >= 100.02 : 1 (4/0)

Size of the tree : 27


RandomTree
==========

Gyrrad < 5.73
|   Ovality < 1.83
|   |   HEAT_OF_FORMATION < 38.98
|   |   |   HeavyAtoms < 25.5
|   |   |   |   HOMO_ENERGY < -8.95
|   |   |   |   |   Sdiam < 10.85
|   |   |   |   |   |   TOTAL_ENERGY < -3644.34 : 1 (2/0)
|   |   |   |   |   |   TOTAL_ENERGY >= -3644.34 : 0 (1/0)
|   |   |   |   |   Sdiam >= 10.85 : 0 (3/0)
|   |   |   |   HOMO_ENERGY >= -8.95
|   |   |   |   |   Torsions < 22.5 : 1 (8/0)
|   |   |   |   |   Torsions >= 22.5
|   |   |   |   |   |   FlexTorsions < 7 : 1 (1/0)
|   |   |   |   |   |   FlexTorsions >= 7 : 0 (1/0)
|   |   |   HeavyAtoms >= 25.5 : 1 (8/0)
|   |   HEAT_OF_FORMATION >= 38.98
|   |   |   Sav < 1124.95 : 0 (9/0)
|   |   |   Sav >= 1124.95 : 1 (1/0)
|   Ovality >= 1.83 : 0 (14/0)
Gyrrad >= 5.73
|   Sdiam < 12.32
|   |   Sav < 1166.41 : 1 (13/0)
|   |   Sav >= 1166.41 : 0 (6/0)
|   Sdiam >= 12.32 : 1 (17/0)

Size of the tree : 25


RandomTree
==========

FlexTorsions < 9.5
|   Angles < 57.5 : 0 (6/0)
|   Angles >= 57.5
|   |   Mass < 344.89
|   |   |   Psa < 81.16
|   |   |   |   Sav < 986.9 : 1 (2/0)
|   |   |   |   Sav >= 986.9 : 0 (2/0)
|   |   |   Psa >= 81.16 : 1 (18/0)
|   |   Mass >= 344.89
|   |   |   Psa < 106.15
|   |   |   |   TOTAL_ENERGY < -4085.5 : 0 (9/0)
|   |   |   |   TOTAL_ENERGY >= -4085.5
|   |   |   |   |   Lipole < 2.46 : 1 (2/0)
|   |   |   |   |   Lipole >= 2.46 : 0 (2/0)
|   |   |   Psa >= 106.15
|   |   |   |   HOMO_ENERGY < -8.23 : 1 (15/0)
|   |   |   |   HOMO_ENERGY >= -8.23
|   |   |   |   |   Torsions < 34.5 : 0 (4/0)
|   |   |   |   |   Torsions >= 34.5
|   |   |   |   |   |   Atoms < 60.5 : 1 (3/0)
|   |   |   |   |   |   Atoms >= 60.5 : 0 (3/0)
FlexTorsions >= 9.5
|   Sdiam < 12.51 : 0 (13/0)
|   Sdiam >= 12.51
|   |   HeavyAtoms < 32.5 : 1 (2/0)
|   |   HeavyAtoms >= 32.5 : 0 (3/0)

Size of the tree : 27


RandomTree
==========

Ovality < 1.82
|   Angles < 78.5
|   |   Volume < 295.56
|   |   |   Ovality < 1.65 : 0 (3/0)
|   |   |   Ovality >= 1.65 : 1 (10/0)
|   |   Volume >= 295.56 : 0 (7/0)
|   Angles >= 78.5
|   |   Lipole < 5.82 : 1 (23/0)
|   |   Lipole >= 5.82 : 0 (1/0)
Ovality >= 1.82
|   MOLECULAR_WEIGHT < 432.5 : 0 (17/0)
|   MOLECULAR_WEIGHT >= 432.5
|   |   LUMO_ENERGY < -1.08
|   |   |   Dipole < 2.08 : 1 (2/0)
|   |   |   Dipole >= 2.08 : 0 (13/0)
|   |   LUMO_ENERGY >= -1.08 : 1 (8/0)

Size of the tree : 17


RandomTree
==========

Sav < 1157.18
|   Ovality < 1.76
|   |   HEAT_OF_FORMATION < 44.91
|   |   |   Volume < 318.01
|   |   |   |   IONIZATION_POTENTIAL < 8.95
|   |   |   |   |   Gyrrad < 5.54 : 1 (9/0)
|   |   |   |   |   Gyrrad >= 5.54 : 0 (1/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.95
|   |   |   |   |   IONIZATION_POTENTIAL < 9.41 : 0 (5/0)
|   |   |   |   |   IONIZATION_POTENTIAL >= 9.41 : 1 (1/0)
|   |   |   Volume >= 318.01 : 1 (5/0)
|   |   HEAT_OF_FORMATION >= 44.91
|   |   |   Mass < 294.82 : 1 (1/0)
|   |   |   Mass >= 294.82 : 0 (4/0)
|   Ovality >= 1.76 : 1 (13/0)
Sav >= 1157.18
|   Rings < 3.5
|   |   Dipole < 1.72 : 1 (2/0)
|   |   Dipole >= 1.72
|   |   |   HbAcc < 6.5 : 0 (23/0)
|   |   |   HbAcc >= 6.5 : 1 (1/0)
|   Rings >= 3.5
|   |   Mass < 440.22
|   |   |   Bonds < 59.5 : 1 (1/0)
|   |   |   Bonds >= 59.5 : 0 (3/0)
|   |   Mass >= 440.22
|   |   |   Angles < 105 : 1 (10/0)
|   |   |   Angles >= 105
|   |   |   |   Mass < 487.55 : 0 (2/0)
|   |   |   |   Mass >= 487.55 : 1 (3/0)

Size of the tree : 31


RandomTree
==========

Impropers < 13.5
|   Vdiam < 8.56
|   |   FlexTorsions < 5.5 : 0 (4/0)
|   |   FlexTorsions >= 5.5
|   |   |   Psa < 81.16 : 0 (2/0)
|   |   |   Psa >= 81.16
|   |   |   |   FlexTorsions < 8.5 : 1 (7/0)
|   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   Vdiam >= 8.56 : 1 (20/0)
Impropers >= 13.5
|   Vdiam < 8.74
|   |   Sas < 538.97 : 0 (3/0)
|   |   Sas >= 538.97
|   |   |   HbDon < 5.5
|   |   |   |   NO._OF_FILLED_LEVELS < 60.5
|   |   |   |   |   Dipole < 4.09 : 0 (1/0)
|   |   |   |   |   Dipole >= 4.09 : 1 (2/0)
|   |   |   |   NO._OF_FILLED_LEVELS >= 60.5 : 1 (13/0)
|   |   |   HbDon >= 5.5 : 0 (2/0)
|   Vdiam >= 8.74
|   |   HEAT_OF_FORMATION < 97.03
|   |   |   Atoms < 61.5 : 0 (20/0)
|   |   |   Atoms >= 61.5
|   |   |   |   ChiralAtms < 0.5 : 1 (1/0)
|   |   |   |   ChiralAtms >= 0.5 : 0 (3/0)
|   |   HEAT_OF_FORMATION >= 97.03 : 1 (5/0)

Size of the tree : 27


RandomTree
==========

Dipole < 2.5
|   ChiralAtms < 0.5
|   |   Psa < 131.21 : 1 (18/0)
|   |   Psa >= 131.21
|   |   |   Angles < 105 : 0 (2/0)
|   |   |   Angles >= 105 : 1 (1/0)
|   ChiralAtms >= 0.5 : 0 (4/0)
Dipole >= 2.5
|   Ovality < 1.83
|   |   FlexTorsions < 5.5
|   |   |   Atoms < 41.5 : 0 (9/0)
|   |   |   Atoms >= 41.5
|   |   |   |   Dipole < 3.97 : 0 (3/0)
|   |   |   |   Dipole >= 3.97 : 1 (4/0)
|   |   FlexTorsions >= 5.5
|   |   |   Surface < 383.64
|   |   |   |   VirtualLogP < 1.75 : 1 (5/0)
|   |   |   |   VirtualLogP >= 1.75 : 0 (4/0)
|   |   |   Surface >= 383.64 : 1 (11/0)
|   Ovality >= 1.83 : 0 (23/0)

Size of the tree : 21


RandomTree
==========

Surface < 433.8
|   ELECTRONIC_ENERGY < -33116.16 : 1 (16/0)
|   ELECTRONIC_ENERGY >= -33116.16
|   |   HEAT_OF_FORMATION < -63.72 : 1 (8/0)
|   |   HEAT_OF_FORMATION >= -63.72
|   |   |   FlexTorsions < 8.5
|   |   |   |   ELECTRONIC_ENERGY < -29645.45
|   |   |   |   |   Mass < 374.41 : 0 (4/0)
|   |   |   |   |   Mass >= 374.41 : 1 (1/0)
|   |   |   |   ELECTRONIC_ENERGY >= -29645.45
|   |   |   |   |   ELECTRONIC_ENERGY < -21236.82 : 1 (8/0)
|   |   |   |   |   ELECTRONIC_ENERGY >= -21236.82 : 0 (2/0)
|   |   |   FlexTorsions >= 8.5 : 0 (5/0)
Surface >= 433.8
|   Mass < 432.5 : 0 (20/0)
|   Mass >= 432.5
|   |   Ovality < 1.85 : 1 (7/0)
|   |   Ovality >= 1.85
|   |   |   Atoms < 67
|   |   |   |   Lipole < 4.04 : 0 (9/0)
|   |   |   |   Lipole >= 4.04 : 1 (2/0)
|   |   |   Atoms >= 67 : 1 (2/0)

Size of the tree : 23


RandomTree
==========

Ovality < 1.82
|   IONIZATION_POTENTIAL < 8.26
|   |   Atoms < 55.5
|   |   |   FlexTorsions < 7
|   |   |   |   DIPOLE < 6 : 0 (7/0)
|   |   |   |   DIPOLE >= 6
|   |   |   |   |   Charge < -0.5 : 0 (2/0)
|   |   |   |   |   Charge >= -0.5 : 1 (1/0)
|   |   |   FlexTorsions >= 7 : 1 (2/0)
|   |   Atoms >= 55.5 : 1 (2/0)
|   IONIZATION_POTENTIAL >= 8.26
|   |   DIPOLE < 5.56
|   |   |   IONIZATION_POTENTIAL < 8.94 : 1 (8/0)
|   |   |   IONIZATION_POTENTIAL >= 8.94
|   |   |   |   Rings < 2.5
|   |   |   |   |   Lipole < 2.46 : 1 (1/0)
|   |   |   |   |   Lipole >= 2.46 : 0 (5/0)
|   |   |   |   Rings >= 2.5 : 1 (3/0)
|   |   DIPOLE >= 5.56 : 1 (17/0)
Ovality >= 1.82
|   HeavyAtoms < 34.5
|   |   COSMO_AREA < 490.34
|   |   |   DIPOLE < 2.31
|   |   |   |   HbDon < 3.5 : 1 (1/0)
|   |   |   |   HbDon >= 3.5 : 0 (1/0)
|   |   |   DIPOLE >= 2.31 : 0 (25/0)
|   |   COSMO_AREA >= 490.34
|   |   |   Psa < 137.93 : 0 (2/0)
|   |   |   Psa >= 137.93 : 1 (3/0)
|   HeavyAtoms >= 34.5 : 1 (4/0)

Size of the tree : 31


RandomTree
==========

Sas < 709.08
|   IONIZATION_POTENTIAL < 8.28
|   |   Torsions < 24 : 1 (2/0)
|   |   Torsions >= 24 : 0 (7/0)
|   IONIZATION_POTENTIAL >= 8.28
|   |   HbDon < 2.5
|   |   |   Lipole < 3.7 : 1 (6/0)
|   |   |   Lipole >= 3.7 : 0 (3/0)
|   |   HbDon >= 2.5 : 1 (24/0)
Sas >= 709.08
|   Sas < 787.26 : 0 (21/0)
|   Sas >= 787.26
|   |   IONIZATION_POTENTIAL < 8.52 : 1 (7/0)
|   |   IONIZATION_POTENTIAL >= 8.52
|   |   |   VirtualLogP < 2.97 : 1 (5/0)
|   |   |   VirtualLogP >= 2.97
|   |   |   |   Psa < 118.97 : 1 (2/0)
|   |   |   |   Psa >= 118.97 : 0 (7/0)

Size of the tree : 19


RandomTree
==========

VirtualLogP < 3.25
|   Ovality < 1.82
|   |   Ovality < 1.66 : 0 (6/0)
|   |   Ovality >= 1.66
|   |   |   FlexTorsions < 8.5
|   |   |   |   FlexTorsions < 6.5
|   |   |   |   |   HOMO_ENERGY < -8.49 : 1 (5/0)
|   |   |   |   |   HOMO_ENERGY >= -8.49
|   |   |   |   |   |   Angles < 74 : 1 (1/0)
|   |   |   |   |   |   Angles >= 74 : 0 (5/0)
|   |   |   |   FlexTorsions >= 6.5 : 1 (18/0)
|   |   |   FlexTorsions >= 8.5
|   |   |   |   Surface < 383.59 : 0 (6/0)
|   |   |   |   Surface >= 383.59 : 1 (2/0)
|   Ovality >= 1.82 : 0 (23/0)
VirtualLogP >= 3.25
|   Lipole < 4.96 : 1 (16/0)
|   Lipole >= 4.96 : 0 (2/0)

Size of the tree : 19


RandomTree
==========

IONIZATION_POTENTIAL < 8.19 : 0 (9/0)
IONIZATION_POTENTIAL >= 8.19
|   Dipole < 2.67
|   |   HOMO_ENERGY < -8.89
|   |   |   Sav < 1154.09 : 1 (4/0)
|   |   |   Sav >= 1154.09 : 0 (4/0)
|   |   HOMO_ENERGY >= -8.89
|   |   |   Dipole < 2.49 : 1 (13/0)
|   |   |   Dipole >= 2.49
|   |   |   |   Dipole < 2.52 : 0 (1/0)
|   |   |   |   Dipole >= 2.52 : 1 (2/0)
|   Dipole >= 2.67
|   |   Ovality < 1.82
|   |   |   Angles < 81
|   |   |   |   Lipole < 2.87 : 1 (5/0)
|   |   |   |   Lipole >= 2.87
|   |   |   |   |   DIPOLE < 6.99
|   |   |   |   |   |   Sdiam < 9.81 : 1 (1/0)
|   |   |   |   |   |   Sdiam >= 9.81
|   |   |   |   |   |   |   Psa < 99.06 : 0 (11/0)
|   |   |   |   |   |   |   Psa >= 99.06
|   |   |   |   |   |   |   |   Dipole < 3.46 : 1 (1/0)
|   |   |   |   |   |   |   |   Dipole >= 3.46 : 0 (2/0)
|   |   |   |   |   DIPOLE >= 6.99 : 1 (3/0)
|   |   |   Angles >= 81 : 1 (9/0)
|   |   Ovality >= 1.82
|   |   |   HbAcc < 6.5 : 0 (18/0)
|   |   |   HbAcc >= 6.5 : 1 (1/0)

Size of the tree : 29


RandomTree
==========

FlexTorsions < 9.5
|   Volume < 251.52 : 0 (4/0)
|   Volume >= 251.52
|   |   Torsions < 24.5
|   |   |   VirtualLogP < 2.6 : 1 (15/0)
|   |   |   VirtualLogP >= 2.6
|   |   |   |   FlexTorsions < 8.5 : 1 (2/0)
|   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   Torsions >= 24.5
|   |   |   Volume < 391.43
|   |   |   |   Lipole < 1.45 : 0 (6/0)
|   |   |   |   Lipole >= 1.45
|   |   |   |   |   ELECTRONIC_ENERGY < -37982.49 : 0 (4/0)
|   |   |   |   |   ELECTRONIC_ENERGY >= -37982.49 : 1 (6/0)
|   |   |   Volume >= 391.43
|   |   |   |   Atoms < 60.5 : 1 (14/0)
|   |   |   |   Atoms >= 60.5
|   |   |   |   |   Angles < 120 : 0 (2/0)
|   |   |   |   |   Angles >= 120 : 1 (1/0)
FlexTorsions >= 9.5
|   Ovality < 1.98
|   |   Dipole < 1.72 : 1 (1/0)
|   |   Dipole >= 1.72 : 0 (26/0)
|   Ovality >= 1.98 : 1 (2/0)

Size of the tree : 25


RandomTree
==========

Torsions < 33.5
|   Bonds < 51
|   |   Bonds < 35.5 : 0 (7/0)
|   |   Bonds >= 35.5
|   |   |   Angles < 80.5
|   |   |   |   IONIZATION_POTENTIAL < 8.24 : 0 (5/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.24
|   |   |   |   |   DIPOLE < 6.99
|   |   |   |   |   |   Ovality < 1.73
|   |   |   |   |   |   |   Sdiam < 11.05
|   |   |   |   |   |   |   |   Dipole < 2.84 : 1 (3/0)
|   |   |   |   |   |   |   |   Dipole >= 2.84 : 0 (2/0)
|   |   |   |   |   |   |   Sdiam >= 11.05 : 1 (3/0)
|   |   |   |   |   |   Ovality >= 1.73 : 0 (4/0)
|   |   |   |   |   DIPOLE >= 6.99 : 1 (4/0)
|   |   |   Angles >= 80.5 : 1 (14/0)
|   Bonds >= 51
|   |   Dipole < 10.6
|   |   |   Impropers < 13.5 : 1 (2/0)
|   |   |   Impropers >= 13.5 : 0 (29/0)
|   |   Dipole >= 10.6 : 1 (2/0)
Torsions >= 33.5
|   IONIZATION_POTENTIAL < 8.22
|   |   Dipole < 2.32 : 1 (2/0)
|   |   Dipole >= 2.32 : 0 (1/0)
|   IONIZATION_POTENTIAL >= 8.22 : 1 (6/0)

Size of the tree : 27


RandomTree
==========

LUMO_ENERGY < -1.58 : 1 (8/0)
LUMO_ENERGY >= -1.58
|   FlexTorsions < 9.5
|   |   HbTot < 5.5 : 0 (9/0)
|   |   HbTot >= 5.5
|   |   |   COSMO_VOLUME < 388.55 : 1 (11/0)
|   |   |   COSMO_VOLUME >= 388.55
|   |   |   |   HbDon < 6.5
|   |   |   |   |   MOLECULAR_WEIGHT < 440.23
|   |   |   |   |   |   VirtualLogP < 1.8 : 1 (5/0)
|   |   |   |   |   |   VirtualLogP >= 1.8
|   |   |   |   |   |   |   LUMO_ENERGY < -0.23
|   |   |   |   |   |   |   |   HbTot < 6.5
|   |   |   |   |   |   |   |   |   Rings < 2.5 : 0 (1/0)
|   |   |   |   |   |   |   |   |   Rings >= 2.5 : 1 (1/0)
|   |   |   |   |   |   |   |   HbTot >= 6.5 : 0 (7/0)
|   |   |   |   |   |   |   LUMO_ENERGY >= -0.23 : 1 (2/0)
|   |   |   |   |   MOLECULAR_WEIGHT >= 440.23 : 1 (8/0)
|   |   |   |   HbDon >= 6.5
|   |   |   |   |   Sav < 1333.84 : 0 (8/0)
|   |   |   |   |   Sav >= 1333.84 : 1 (1/0)
|   FlexTorsions >= 9.5
|   |   HEAT_OF_FORMATION < -0.63 : 0 (22/0)
|   |   HEAT_OF_FORMATION >= -0.63 : 1 (1/0)

Size of the tree : 25


RandomTree
==========

FlexTorsions < 8.5
|   HOMO_ENERGY < -8.26
|   |   HeavyAtoms < 20.5
|   |   |   Angles < 61 : 0 (3/0)
|   |   |   Angles >= 61 : 1 (1/0)
|   |   HeavyAtoms >= 20.5
|   |   |   Sas < 705.05 : 1 (22/0)
|   |   |   Sas >= 705.05
|   |   |   |   Mass < 425.97 : 0 (1/0)
|   |   |   |   Mass >= 425.97 : 1 (5/0)
|   HOMO_ENERGY >= -8.26
|   |   Angles < 82 : 0 (8/0)
|   |   Angles >= 82
|   |   |   HbTot < 8.5
|   |   |   |   Lipole < 4.85 : 1 (5/0)
|   |   |   |   Lipole >= 4.85 : 0 (1/0)
|   |   |   HbTot >= 8.5
|   |   |   |   Lipole < 2.51 : 0 (7/0)
|   |   |   |   Lipole >= 2.51 : 1 (1/0)
FlexTorsions >= 8.5
|   Charge < 0.5
|   |   Dipole < 1.64 : 1 (1/0)
|   |   Dipole >= 1.64
|   |   |   Torsions < 18.5 : 1 (1/0)
|   |   |   Torsions >= 18.5
|   |   |   |   TOTAL_ENERGY < -5446.77
|   |   |   |   |   Vdiam < 9.33 : 1 (1/0)
|   |   |   |   |   Vdiam >= 9.33 : 0 (5/0)
|   |   |   |   TOTAL_ENERGY >= -5446.77 : 0 (21/0)
|   Charge >= 0.5 : 1 (1/0)

Size of the tree : 31


RandomTree
==========

Vdiam < 8.86
|   VirtualLogP < 1.89
|   |   Angles < 57.5 : 0 (2/0)
|   |   Angles >= 57.5
|   |   |   Torsions < 28 : 1 (14/0)
|   |   |   Torsions >= 28
|   |   |   |   Bonds < 51 : 0 (1/0)
|   |   |   |   Bonds >= 51 : 1 (1/0)
|   VirtualLogP >= 1.89
|   |   Sav < 1073.47
|   |   |   Sdiam < 11.05
|   |   |   |   Atoms < 43.5
|   |   |   |   |   Charge < -0.5 : 0 (1/0)
|   |   |   |   |   Charge >= -0.5
|   |   |   |   |   |   HbTot < 8 : 1 (3/0)
|   |   |   |   |   |   HbTot >= 8 : 0 (1/0)
|   |   |   |   Atoms >= 43.5 : 0 (6/0)
|   |   |   Sdiam >= 11.05
|   |   |   |   Lipole < 2.4 : 1 (9/0)
|   |   |   |   Lipole >= 2.4
|   |   |   |   |   Ovality < 1.74 : 0 (1/0)
|   |   |   |   |   Ovality >= 1.74 : 1 (3/0)
|   |   Sav >= 1073.47 : 0 (6/0)
Vdiam >= 8.86
|   FlexTorsions < 9
|   |   Mass < 435.5 : 0 (4/0)
|   |   Mass >= 435.5
|   |   |   Dipole < 2.35 : 1 (9/0)
|   |   |   Dipole >= 2.35 : 0 (2/0)
|   FlexTorsions >= 9
|   |   Angles < 107 : 0 (17/0)
|   |   Angles >= 107
|   |   |   VirtualLogP < 3.1 : 1 (2/0)
|   |   |   VirtualLogP >= 3.1 : 0 (2/0)

Size of the tree : 35


RandomTree
==========

Mass < 354.92
|   Angles < 57.5 : 0 (3/0)
|   Angles >= 57.5
|   |   ASA < 303.36
|   |   |   MOLECULAR_WEIGHT < 322.86
|   |   |   |   TOTAL_ENERGY < -3653.15 : 0 (2/0)
|   |   |   |   TOTAL_ENERGY >= -3653.15 : 1 (10/0)
|   |   |   MOLECULAR_WEIGHT >= 322.86 : 1 (19/0)
|   |   ASA >= 303.36 : 0 (1/0)
Mass >= 354.92
|   FlexTorsions < 9.5
|   |   TOTAL_ENERGY < -5364.99 : 1 (5/0)
|   |   TOTAL_ENERGY >= -5364.99
|   |   |   HbDon < 6.5
|   |   |   |   HOMO_ENERGY < -8.19
|   |   |   |   |   EzBnds < 0.5 : 1 (8/0)
|   |   |   |   |   EzBnds >= 0.5 : 0 (1/0)
|   |   |   |   HOMO_ENERGY >= -8.19 : 0 (4/0)
|   |   |   HbDon >= 6.5
|   |   |   |   Sav < 1333.84 : 0 (7/0)
|   |   |   |   Sav >= 1333.84 : 1 (1/0)
|   FlexTorsions >= 9.5
|   |   Sav < 1335.66 : 0 (19/0)
|   |   Sav >= 1335.66
|   |   |   Gyrrad < 5.83 : 0 (2/0)
|   |   |   Gyrrad >= 5.83 : 1 (2/0)

Size of the tree : 27


RandomTree
==========

ChiralAtms < 0.5
|   Dipole < 2.44
|   |   DIPOLE < 5.74 : 1 (11/0)
|   |   DIPOLE >= 5.74
|   |   |   HbAcc < 4.5 : 0 (1/0)
|   |   |   HbAcc >= 4.5 : 1 (2/0)
|   Dipole >= 2.44
|   |   LUMO_ENERGY < -0.85
|   |   |   Lipole < 3.7 : 1 (10/0)
|   |   |   Lipole >= 3.7
|   |   |   |   HbDon < 2.5
|   |   |   |   |   HbTot < 7.5 : 1 (1/0)
|   |   |   |   |   HbTot >= 7.5 : 0 (2/0)
|   |   |   |   HbDon >= 2.5 : 1 (2/0)
|   |   LUMO_ENERGY >= -0.85
|   |   |   Torsions < 22.5
|   |   |   |   HbTot < 7.5
|   |   |   |   |   LUMO_ENERGY < -0.6 : 1 (2/0)
|   |   |   |   |   LUMO_ENERGY >= -0.6 : 0 (4/0)
|   |   |   |   HbTot >= 7.5 : 1 (6/0)
|   |   |   Torsions >= 22.5 : 0 (17/0)
ChiralAtms >= 0.5
|   Sas < 686.83 : 1 (3/0)
|   Sas >= 686.83 : 0 (23/0)

Size of the tree : 25


RandomTree
==========

ChiralAtms < 0.5
|   FlexTorsions < 5.5
|   |   Atoms < 41.5 : 0 (4/0)
|   |   Atoms >= 41.5
|   |   |   Atoms < 45.5 : 1 (2/0)
|   |   |   Atoms >= 45.5 : 0 (3/0)
|   FlexTorsions >= 5.5
|   |   Vdiam < 9.08
|   |   |   TOTAL_ENERGY < -4692.37
|   |   |   |   Sav < 1157.64
|   |   |   |   |   Atoms < 45 : 0 (1/0)
|   |   |   |   |   Atoms >= 45 : 1 (2/0)
|   |   |   |   Sav >= 1157.64 : 0 (4/0)
|   |   |   TOTAL_ENERGY >= -4692.37
|   |   |   |   Sas < 725.91
|   |   |   |   |   LUMO_ENERGY < -0.52 : 1 (23/0)
|   |   |   |   |   LUMO_ENERGY >= -0.52
|   |   |   |   |   |   Mass < 306.38
|   |   |   |   |   |   |   FlexTorsions < 8.5 : 1 (1/0)
|   |   |   |   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   |   |   |   |   Mass >= 306.38 : 1 (6/0)
|   |   |   |   Sas >= 725.91 : 0 (1/0)
|   |   Vdiam >= 9.08 : 1 (14/0)
ChiralAtms >= 0.5
|   Rings < 1.5 : 1 (1/0)
|   Rings >= 1.5
|   |   Atoms < 66.5 : 0 (20/0)
|   |   Atoms >= 66.5 : 1 (1/0)

Size of the tree : 29


RandomTree
==========

Bonds < 35.5 : 0 (8/0)
Bonds >= 35.5
|   LUMO_ENERGY < -1.59 : 1 (14/0)
|   LUMO_ENERGY >= -1.59
|   |   Atoms < 44.5 : 1 (12/0)
|   |   Atoms >= 44.5
|   |   |   Mass < 440.99
|   |   |   |   Sdiam < 11.68
|   |   |   |   |   Angles < 79.5 : 0 (8/0)
|   |   |   |   |   Angles >= 79.5 : 1 (6/0)
|   |   |   |   Sdiam >= 11.68 : 0 (18/0)
|   |   |   Mass >= 440.99
|   |   |   |   ChiralAtms < 0.5
|   |   |   |   |   Vdiam < 9.31 : 1 (9/0)
|   |   |   |   |   Vdiam >= 9.31
|   |   |   |   |   |   HbAcc < 4.5 : 0 (2/0)
|   |   |   |   |   |   HbAcc >= 4.5 : 1 (2/0)
|   |   |   |   ChiralAtms >= 0.5
|   |   |   |   |   HbAcc < 4.5 : 1 (1/0)
|   |   |   |   |   HbAcc >= 4.5 : 0 (4/0)

Size of the tree : 21


RandomTree
==========

FlexTorsions < 9.5
|   FlexTorsions < 5.5
|   |   Impropers < 13.5
|   |   |   HbDon < 3.5
|   |   |   |   Angles < 64 : 1 (1/0)
|   |   |   |   Angles >= 64 : 0 (2/0)
|   |   |   HbDon >= 3.5 : 1 (2/0)
|   |   Impropers >= 13.5 : 0 (8/0)
|   FlexTorsions >= 5.5
|   |   HbAcc < 3.5 : 1 (11/0)
|   |   HbAcc >= 3.5
|   |   |   HbDon < 2.5
|   |   |   |   Dipole < 3.74 : 1 (1/0)
|   |   |   |   Dipole >= 3.74 : 0 (4/0)
|   |   |   HbDon >= 2.5
|   |   |   |   Sas < 606.48 : 1 (7/0)
|   |   |   |   Sas >= 606.48
|   |   |   |   |   HbTot < 7.5 : 0 (4/0)
|   |   |   |   |   HbTot >= 7.5
|   |   |   |   |   |   IONIZATION_POTENTIAL < 8.26
|   |   |   |   |   |   |   VirtualLogP < 3.29 : 0 (4/0)
|   |   |   |   |   |   |   VirtualLogP >= 3.29 : 1 (4/0)
|   |   |   |   |   |   IONIZATION_POTENTIAL >= 8.26 : 1 (9/0)
FlexTorsions >= 9.5
|   HbTot < 10.5 : 0 (22/0)
|   HbTot >= 10.5
|   |   EzBnds < 0.5 : 1 (3/0)
|   |   EzBnds >= 0.5 : 0 (2/0)

Size of the tree : 29


RandomTree
==========

TOTAL_ENERGY < -5337.18 : 1 (14/0)
TOTAL_ENERGY >= -5337.18
|   Gyrrad < 4.87
|   |   Bonds < 35.5 : 0 (2/0)
|   |   Bonds >= 35.5
|   |   |   HbAcc < 2.5 : 0 (2/0)
|   |   |   HbAcc >= 2.5 : 1 (16/0)
|   Gyrrad >= 4.87
|   |   HbTot < 10.5
|   |   |   Sav < 1286.68
|   |   |   |   FlexTorsions < 9.5
|   |   |   |   |   MOLECULAR_WEIGHT < 313.38 : 1 (4/0)
|   |   |   |   |   MOLECULAR_WEIGHT >= 313.38
|   |   |   |   |   |   FlexTorsions < 7.5
|   |   |   |   |   |   |   Dipole < 3.73
|   |   |   |   |   |   |   |   Gyrrad < 5.68 : 0 (7/0)
|   |   |   |   |   |   |   |   Gyrrad >= 5.68 : 1 (2/0)
|   |   |   |   |   |   |   Dipole >= 3.73 : 1 (7/0)
|   |   |   |   |   |   FlexTorsions >= 7.5 : 0 (4/0)
|   |   |   |   FlexTorsions >= 9.5 : 0 (11/0)
|   |   |   Sav >= 1286.68 : 1 (5/0)
|   |   HbTot >= 10.5 : 0 (10/0)

Size of the tree : 23


RandomTree
==========

Lipole < 2.85
|   HOMO_ENERGY < -8.25 : 1 (23/0)
|   HOMO_ENERGY >= -8.25
|   |   HbTot < 8.5 : 1 (3/0)
|   |   HbTot >= 8.5
|   |   |   ELECTRONIC_ENERGY < -42072.73
|   |   |   |   Psa < 130.66 : 1 (5/0)
|   |   |   |   Psa >= 130.66 : 0 (1/0)
|   |   |   ELECTRONIC_ENERGY >= -42072.73 : 0 (8/0)
Lipole >= 2.85
|   Mass < 487.74
|   |   HbAcc < 4.5
|   |   |   Angles < 75
|   |   |   |   ELECTRONIC_ENERGY < -21236.82 : 1 (5/0)
|   |   |   |   ELECTRONIC_ENERGY >= -21236.82 : 0 (3/0)
|   |   |   Angles >= 75
|   |   |   |   Dipole < 2.57 : 1 (2/0)
|   |   |   |   Dipole >= 2.57 : 0 (11/0)
|   |   HbAcc >= 4.5 : 0 (19/0)
|   Mass >= 487.74 : 1 (4/0)

Size of the tree : 21


RandomTree
==========

Impropers < 13.5
|   Angles < 92.5
|   |   Dipole < 3.08 : 1 (9/0)
|   |   Dipole >= 3.08
|   |   |   ASA < 232.99 : 0 (3/0)
|   |   |   ASA >= 232.99
|   |   |   |   HEAT_OF_FORMATION < 44.91
|   |   |   |   |   HbAcc < 5.5 : 1 (7/0)
|   |   |   |   |   HbAcc >= 5.5 : 0 (1/0)
|   |   |   |   HEAT_OF_FORMATION >= 44.91 : 0 (3/0)
|   Angles >= 92.5 : 1 (9/0)
Impropers >= 13.5
|   Bonds < 52.5
|   |   Volume < 268.46 : 0 (3/0)
|   |   Volume >= 268.46
|   |   |   COSMO_AREA < 364.45 : 1 (4/0)
|   |   |   COSMO_AREA >= 364.45
|   |   |   |   Angles < 80
|   |   |   |   |   Dipole < 4.11 : 0 (3/0)
|   |   |   |   |   Dipole >= 4.11 : 1 (1/0)
|   |   |   |   Angles >= 80 : 1 (3/0)
|   Bonds >= 52.5
|   |   Psa < 145.59
|   |   |   IONIZATION_POTENTIAL < 8.44
|   |   |   |   Sav < 1280.66 : 0 (5/0)
|   |   |   |   Sav >= 1280.66 : 1 (1/0)
|   |   |   IONIZATION_POTENTIAL >= 8.44 : 0 (30/0)
|   |   Psa >= 145.59 : 1 (2/0)

Size of the tree : 29


RandomTree
==========

HOMO_ENERGY < -9.38 : 1 (9/0)
HOMO_ENERGY >= -9.38
|   Sas < 785.66
|   |   Angles < 86.5
|   |   |   Mass < 270.28 : 0 (4/0)
|   |   |   Mass >= 270.28
|   |   |   |   Sav < 982.16 : 1 (16/0)
|   |   |   |   Sav >= 982.16
|   |   |   |   |   Atoms < 45.5 : 0 (1/0)
|   |   |   |   |   Atoms >= 45.5
|   |   |   |   |   |   VirtualLogP < 3.52 : 1 (4/0)
|   |   |   |   |   |   VirtualLogP >= 3.52 : 0 (1/0)
|   |   Angles >= 86.5 : 0 (26/0)
|   Sas >= 785.66
|   |   Gyrrad < 5.87 : 0 (3/0)
|   |   Gyrrad >= 5.87
|   |   |   FlexTorsions < 7.5
|   |   |   |   Lipole < 2.51 : 0 (1/0)
|   |   |   |   Lipole >= 2.51 : 1 (2/0)
|   |   |   FlexTorsions >= 7.5 : 1 (17/0)

Size of the tree : 21


RandomTree
==========

Sdiam < 11.66
|   Angles < 80.5
|   |   Lipole < 1.5 : 0 (3/0)
|   |   Lipole >= 1.5
|   |   |   Ovality < 1.74
|   |   |   |   TOTAL_ENERGY < -3986.02 : 1 (8/0)
|   |   |   |   TOTAL_ENERGY >= -3986.02
|   |   |   |   |   Dipole < 3.01 : 1 (4/0)
|   |   |   |   |   Dipole >= 3.01
|   |   |   |   |   |   Sav < 876.94 : 0 (2/0)
|   |   |   |   |   |   Sav >= 876.94
|   |   |   |   |   |   |   Psa < 100.04 : 0 (1/0)
|   |   |   |   |   |   |   Psa >= 100.04 : 1 (1/0)
|   |   |   Ovality >= 1.74 : 0 (6/0)
|   Angles >= 80.5 : 1 (26/0)
Sdiam >= 11.66
|   Impropers < 13.5 : 1 (7/0)
|   Impropers >= 13.5
|   |   Volume < 403.63 : 0 (20/0)
|   |   Volume >= 403.63
|   |   |   LUMO_ENERGY < -1.08 : 0 (3/0)
|   |   |   LUMO_ENERGY >= -1.08 : 1 (3/0)

Size of the tree : 23


RandomTree
==========

Surface < 426.77
|   IONIZATION_POTENTIAL < 8.55
|   |   ASA < 280.89 : 0 (4/0)
|   |   ASA >= 280.89
|   |   |   Lipole < 2.87 : 1 (6/0)
|   |   |   Lipole >= 2.87
|   |   |   |   Impropers < 13.5 : 0 (3/0)
|   |   |   |   Impropers >= 13.5 : 1 (1/0)
|   IONIZATION_POTENTIAL >= 8.55 : 1 (24/0)
Surface >= 426.77
|   IONIZATION_POTENTIAL < 8.75
|   |   Sdiam < 12.32
|   |   |   Sav < 1067.6 : 1 (2/0)
|   |   |   Sav >= 1067.6 : 0 (8/0)
|   |   Sdiam >= 12.32
|   |   |   Bonds < 65 : 1 (7/0)
|   |   |   Bonds >= 65 : 0 (1/0)
|   IONIZATION_POTENTIAL >= 8.75
|   |   Angles < 129.5 : 0 (26/0)
|   |   Angles >= 129.5 : 1 (2/0)

Size of the tree : 21


RandomTree
==========

Lipole < 2.85
|   Volume < 391.31
|   |   Sav < 1166.41
|   |   |   COSMO_VOLUME < 436.19
|   |   |   |   Impropers < 16.5
|   |   |   |   |   HeavyAtoms < 22.5 : 1 (1/0)
|   |   |   |   |   HeavyAtoms >= 22.5
|   |   |   |   |   |   Mass < 353.4
|   |   |   |   |   |   |   Angles < 72.5 : 0 (3/0)
|   |   |   |   |   |   |   Angles >= 72.5 : 1 (1/0)
|   |   |   |   |   |   Mass >= 353.4 : 0 (4/0)
|   |   |   |   Impropers >= 16.5 : 1 (4/0)
|   |   |   COSMO_VOLUME >= 436.19 : 1 (10/0)
|   |   Sav >= 1166.41 : 0 (8/0)
|   Volume >= 391.31 : 1 (13/0)
Lipole >= 2.85
|   CORE-CORE_REPULSION < 27926.61
|   |   Psa < 86.94 : 0 (5/0)
|   |   Psa >= 86.94 : 1 (7/0)
|   CORE-CORE_REPULSION >= 27926.61
|   |   Angles < 131 : 0 (27/0)
|   |   Angles >= 131 : 1 (1/0)

Size of the tree : 23


RandomTree
==========

COSMO_AREA < 389.37
|   Surface < 314.92
|   |   Bonds < 35.5 : 0 (3/0)
|   |   Bonds >= 35.5 : 1 (1/0)
|   Surface >= 314.92 : 1 (24/0)
COSMO_AREA >= 389.37
|   Atoms < 47.5 : 0 (9/0)
|   Atoms >= 47.5
|   |   HEAT_OF_FORMATION < 1.46
|   |   |   HOMO_ENERGY < -9.13
|   |   |   |   Dipole < 4.32
|   |   |   |   |   Bonds < 62 : 0 (3/0)
|   |   |   |   |   Bonds >= 62 : 1 (1/0)
|   |   |   |   Dipole >= 4.32 : 1 (2/0)
|   |   |   HOMO_ENERGY >= -9.13 : 0 (21/0)
|   |   HEAT_OF_FORMATION >= 1.46
|   |   |   IONIZATION_POTENTIAL < 8.22
|   |   |   |   VirtualLogP < 3.27 : 0 (3/0)
|   |   |   |   VirtualLogP >= 3.27 : 1 (2/0)
|   |   |   IONIZATION_POTENTIAL >= 8.22 : 1 (15/0)

Size of the tree : 21


RandomTree
==========

Sav < 1149.86
|   ELECTRONIC_ENERGY < -33116.16 : 1 (12/0)
|   ELECTRONIC_ENERGY >= -33116.16
|   |   Impropers < 16.5
|   |   |   Psa < 84.57
|   |   |   |   Ovality < 1.76 : 0 (10/0)
|   |   |   |   Ovality >= 1.76 : 1 (1/0)
|   |   |   Psa >= 84.57
|   |   |   |   Sdiam < 10.9 : 1 (6/0)
|   |   |   |   Sdiam >= 10.9
|   |   |   |   |   ELECTRONIC_ENERGY < -32535.58 : 0 (5/0)
|   |   |   |   |   ELECTRONIC_ENERGY >= -32535.58
|   |   |   |   |   |   Dipole < 3.64 : 0 (2/0)
|   |   |   |   |   |   Dipole >= 3.64 : 1 (2/0)
|   |   Impropers >= 16.5 : 1 (5/0)
Sav >= 1149.86
|   Sav < 1286.68
|   |   Rings < 3.5 : 0 (23/0)
|   |   Rings >= 3.5
|   |   |   Sdiam < 11.85 : 0 (1/0)
|   |   |   Sdiam >= 11.85 : 1 (1/0)
|   Sav >= 1286.68
|   |   IONIZATION_POTENTIAL < 8.52
|   |   |   VirtualLogP < 3.34 : 0 (2/0)
|   |   |   VirtualLogP >= 3.34 : 1 (7/0)
|   |   IONIZATION_POTENTIAL >= 8.52 : 0 (7/0)

Size of the tree : 27


RandomTree
==========

Atoms < 51
|   Angles < 80.5
|   |   COSMO_AREA < 365.63
|   |   |   Sav < 942.59
|   |   |   |   Psa < 100.28
|   |   |   |   |   Gyrrad < 3.8
|   |   |   |   |   |   HbDon < 1.5 : 0 (2/0)
|   |   |   |   |   |   HbDon >= 1.5 : 1 (1/0)
|   |   |   |   |   Gyrrad >= 3.8 : 0 (4/0)
|   |   |   |   Psa >= 100.28 : 1 (2/0)
|   |   |   Sav >= 942.59 : 1 (9/0)
|   |   COSMO_AREA >= 365.63 : 0 (8/0)
|   Angles >= 80.5 : 1 (14/0)
Atoms >= 51
|   ASA < 407.72
|   |   FlexTorsions < 9.5
|   |   |   COSMO_AREA < 473.19
|   |   |   |   Impropers < 7.5 : 1 (1/0)
|   |   |   |   Impropers >= 7.5 : 0 (7/0)
|   |   |   COSMO_AREA >= 473.19
|   |   |   |   Atoms < 60.5 : 1 (7/0)
|   |   |   |   Atoms >= 60.5 : 0 (1/0)
|   |   FlexTorsions >= 9.5 : 0 (24/0)
|   ASA >= 407.72 : 1 (4/0)

Size of the tree : 25


RandomTree
==========

Bonds < 35.5 : 0 (6/0)
Bonds >= 35.5
|   Surface < 433.56
|   |   FlexTorsions < 8.5
|   |   |   Sdiam < 10.54
|   |   |   |   Atoms < 40 : 1 (2/0)
|   |   |   |   Atoms >= 40 : 0 (2/0)
|   |   |   Sdiam >= 10.54
|   |   |   |   Torsions < 25 : 1 (22/0)
|   |   |   |   Torsions >= 25
|   |   |   |   |   HbTot < 6.5 : 0 (1/0)
|   |   |   |   |   HbTot >= 6.5 : 1 (5/0)
|   |   FlexTorsions >= 8.5
|   |   |   Sdiam < 11.05 : 0 (3/0)
|   |   |   Sdiam >= 11.05
|   |   |   |   Volume < 332.12 : 1 (3/0)
|   |   |   |   Volume >= 332.12 : 0 (1/0)
|   Surface >= 433.56
|   |   Mass < 445.91
|   |   |   Ovality < 1.88 : 0 (20/0)
|   |   |   Ovality >= 1.88 : 1 (1/0)
|   |   Mass >= 445.91
|   |   |   IONIZATION_POTENTIAL < 8.71 : 1 (12/0)
|   |   |   IONIZATION_POTENTIAL >= 8.71
|   |   |   |   Torsions < 30.5 : 1 (2/0)
|   |   |   |   Torsions >= 30.5 : 0 (4/0)

Size of the tree : 27


RandomTree
==========

CORE-CORE_REPULSION < 25559.95
|   CORE-CORE_REPULSION < 17889.23 : 0 (2/0)
|   CORE-CORE_REPULSION >= 17889.23
|   |   Lipole < 1.46
|   |   |   HeavyAtoms < 24.5 : 0 (1/0)
|   |   |   HeavyAtoms >= 24.5 : 1 (1/0)
|   |   Lipole >= 1.46 : 1 (20/0)
CORE-CORE_REPULSION >= 25559.95
|   TOTAL_ENERGY < -5387.02 : 1 (8/0)
|   TOTAL_ENERGY >= -5387.02
|   |   HEAT_OF_FORMATION < 100.02
|   |   |   Gyrrad < 4.18 : 1 (3/0)
|   |   |   Gyrrad >= 4.18
|   |   |   |   IONIZATION_POTENTIAL < 8.23
|   |   |   |   |   Gyrrad < 7.14
|   |   |   |   |   |   VirtualLogP < 4.45 : 0 (10/0)
|   |   |   |   |   |   VirtualLogP >= 4.45 : 1 (1/0)
|   |   |   |   |   Gyrrad >= 7.14 : 1 (1/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.23 : 0 (33/0)
|   |   HEAT_OF_FORMATION >= 100.02 : 1 (4/0)

Size of the tree : 21


RandomTree
==========

LUMO_ENERGY < -1.58 : 1 (7/0)
LUMO_ENERGY >= -1.58
|   Ovality < 1.82
|   |   Sav < 1057.73
|   |   |   Lipole < 4.81
|   |   |   |   Surface < 316.02 : 0 (5/0)
|   |   |   |   Surface >= 316.02
|   |   |   |   |   Volume < 297.4 : 1 (5/0)
|   |   |   |   |   Volume >= 297.4
|   |   |   |   |   |   LUMO_ENERGY < -0.23
|   |   |   |   |   |   |   TOTAL_ENERGY < -4013.26
|   |   |   |   |   |   |   |   EzBnds < 0.5
|   |   |   |   |   |   |   |   |   HbAcc < 3.5 : 1 (1/0)
|   |   |   |   |   |   |   |   |   HbAcc >= 3.5 : 0 (4/0)
|   |   |   |   |   |   |   |   EzBnds >= 0.5 : 1 (3/0)
|   |   |   |   |   |   |   TOTAL_ENERGY >= -4013.26 : 0 (8/0)
|   |   |   |   |   |   LUMO_ENERGY >= -0.23 : 1 (4/0)
|   |   |   Lipole >= 4.81 : 1 (5/0)
|   |   Sav >= 1057.73 : 1 (9/0)
|   Ovality >= 1.82
|   |   HEAT_OF_FORMATION < 0.31 : 0 (25/0)
|   |   HEAT_OF_FORMATION >= 0.31
|   |   |   Sas < 785.89 : 0 (1/0)
|   |   |   Sas >= 785.89 : 1 (7/0)

Size of the tree : 25


RandomTree
==========

FlexTorsions < 9.5
|   HbTot < 5.5
|   |   EzBnds < 1.5 : 0 (4/0)
|   |   EzBnds >= 1.5 : 1 (2/0)
|   HbTot >= 5.5
|   |   Lipole < 5.18
|   |   |   Surface < 396.64
|   |   |   |   HOMO_ENERGY < -8.26
|   |   |   |   |   FlexTorsions < 8.5 : 1 (12/0)
|   |   |   |   |   FlexTorsions >= 8.5 : 0 (1/0)
|   |   |   |   HOMO_ENERGY >= -8.26 : 0 (3/0)
|   |   |   Surface >= 396.64
|   |   |   |   Bonds < 64.5 : 1 (24/0)
|   |   |   |   Bonds >= 64.5
|   |   |   |   |   Bonds < 71 : 0 (1/0)
|   |   |   |   |   Bonds >= 71 : 1 (2/0)
|   |   Lipole >= 5.18 : 0 (3/0)
FlexTorsions >= 9.5
|   Vdiam < 9.27 : 0 (26/0)
|   Vdiam >= 9.27
|   |   Psa < 142.33 : 0 (5/0)
|   |   Psa >= 142.33 : 1 (1/0)

Size of the tree : 23


RandomTree
==========

Psa < 80.86 : 0 (6/0)
Psa >= 80.86
|   ChiralAtms < 0.5
|   |   ELECTRONIC_ENERGY < -41210.23
|   |   |   VirtualLogP < 3.29
|   |   |   |   Angles < 99 : 1 (1/0)
|   |   |   |   Angles >= 99 : 0 (2/0)
|   |   |   VirtualLogP >= 3.29 : 1 (20/0)
|   |   ELECTRONIC_ENERGY >= -41210.23
|   |   |   Gyrrad < 5 : 1 (10/0)
|   |   |   Gyrrad >= 5
|   |   |   |   FlexTorsions < 5.5 : 0 (8/0)
|   |   |   |   FlexTorsions >= 5.5
|   |   |   |   |   Angles < 88
|   |   |   |   |   |   Sav < 1023.03
|   |   |   |   |   |   |   Mass < 341.38 : 1 (3/0)
|   |   |   |   |   |   |   Mass >= 341.38 : 0 (1/0)
|   |   |   |   |   |   Sav >= 1023.03 : 1 (8/0)
|   |   |   |   |   Angles >= 88
|   |   |   |   |   |   Impropers < 13.5 : 1 (4/0)
|   |   |   |   |   |   Impropers >= 13.5 : 0 (8/0)
|   ChiralAtms >= 0.5
|   |   FlexTorsions < 7.5 : 1 (2/0)
|   |   FlexTorsions >= 7.5 : 0 (11/0)

Size of the tree : 25


RandomTree
==========

ChiralAtms < 0.5
|   MOLECULAR_WEIGHT < 429.48
|   |   Ovality < 1.82
|   |   |   HEAT_OF_FORMATION < 29.14
|   |   |   |   Vdiam < 8.33
|   |   |   |   |   DIPOLE < 5.83 : 0 (4/0)
|   |   |   |   |   DIPOLE >= 5.83
|   |   |   |   |   |   Charge < -0.5 : 0 (1/0)
|   |   |   |   |   |   Charge >= -0.5 : 1 (4/0)
|   |   |   |   Vdiam >= 8.33 : 1 (20/0)
|   |   |   HEAT_OF_FORMATION >= 29.14
|   |   |   |   Lipole < 1.47 : 0 (8/0)
|   |   |   |   Lipole >= 1.47
|   |   |   |   |   Lipole < 5.6 : 1 (3/0)
|   |   |   |   |   Lipole >= 5.6 : 0 (1/0)
|   |   Ovality >= 1.82 : 0 (10/0)
|   MOLECULAR_WEIGHT >= 429.48
|   |   HOMO_ENERGY < -8.22 : 1 (16/0)
|   |   HOMO_ENERGY >= -8.22 : 0 (1/0)
ChiralAtms >= 0.5
|   ChiralAtms < 1.5 : 0 (15/0)
|   ChiralAtms >= 1.5 : 1 (1/0)

Size of the tree : 23


RandomTree
==========

Dipole < 4.39
|   Sav < 1286.68
|   |   FlexTorsions < 8.5
|   |   |   HbTot < 10.5
|   |   |   |   EzBnds < 1.5
|   |   |   |   |   Lipole < 1.31 : 0 (2/0)
|   |   |   |   |   Lipole >= 1.31
|   |   |   |   |   |   Bonds < 35.5 : 0 (1/0)
|   |   |   |   |   |   Bonds >= 35.5
|   |   |   |   |   |   |   ASA < 291.72 : 1 (11/0)
|   |   |   |   |   |   |   ASA >= 291.72
|   |   |   |   |   |   |   |   Bonds < 49.5 : 0 (1/0)
|   |   |   |   |   |   |   |   Bonds >= 49.5 : 1 (4/0)
|   |   |   |   EzBnds >= 1.5 : 0 (4/0)
|   |   |   HbTot >= 10.5 : 0 (5/0)
|   |   FlexTorsions >= 8.5 : 0 (22/0)
|   Sav >= 1286.68
|   |   Gyrrad < 5.87 : 0 (1/0)
|   |   Gyrrad >= 5.87 : 1 (9/0)
Dipole >= 4.39
|   HbTot < 3.5 : 0 (2/0)
|   HbTot >= 3.5
|   |   VirtualLogP < 2.52 : 1 (17/0)
|   |   VirtualLogP >= 2.52
|   |   |   HeavyAtoms < 27.5
|   |   |   |   Rings < 2.5 : 0 (1/0)
|   |   |   |   Rings >= 2.5 : 1 (2/0)
|   |   |   HeavyAtoms >= 27.5 : 0 (2/0)

Size of the tree : 29


RandomTree
==========

Gyrrad < 5.73
|   Ovality < 1.81
|   |   IONIZATION_POTENTIAL < 8.24 : 0 (8/0)
|   |   IONIZATION_POTENTIAL >= 8.24
|   |   |   Angles < 78
|   |   |   |   IONIZATION_POTENTIAL < 8.95
|   |   |   |   |   IONIZATION_POTENTIAL < 8.26
|   |   |   |   |   |   HbTot < 6.5 : 1 (1/0)
|   |   |   |   |   |   HbTot >= 6.5 : 0 (1/0)
|   |   |   |   |   IONIZATION_POTENTIAL >= 8.26 : 1 (3/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.95
|   |   |   |   |   HEAT_OF_FORMATION < -78.83 : 1 (1/0)
|   |   |   |   |   HEAT_OF_FORMATION >= -78.83 : 0 (6/0)
|   |   |   Angles >= 78 : 1 (12/0)
|   Ovality >= 1.81 : 0 (17/0)
Gyrrad >= 5.73
|   Atoms < 51.5 : 1 (12/0)
|   Atoms >= 51.5
|   |   Sas < 787.26 : 0 (9/0)
|   |   Sas >= 787.26
|   |   |   IONIZATION_POTENTIAL < 8.22
|   |   |   |   HbDon < 6.5 : 1 (1/0)
|   |   |   |   HbDon >= 6.5 : 0 (1/0)
|   |   |   IONIZATION_POTENTIAL >= 8.22 : 1 (12/0)

Size of the tree : 25


RandomTree
==========

FlexTorsions < 9.5
|   Psa < 107.63
|   |   IONIZATION_POTENTIAL < 9.12
|   |   |   COSMO_AREA < 365.51
|   |   |   |   Charge < -0.5 : 0 (1/0)
|   |   |   |   Charge >= -0.5 : 1 (7/0)
|   |   |   COSMO_AREA >= 365.51
|   |   |   |   Gyrrad < 5.73 : 0 (14/0)
|   |   |   |   Gyrrad >= 5.73
|   |   |   |   |   Angles < 86.5 : 1 (3/0)
|   |   |   |   |   Angles >= 86.5 : 0 (4/0)
|   |   IONIZATION_POTENTIAL >= 9.12 : 1 (4/0)
|   Psa >= 107.63
|   |   Angles < 101 : 1 (15/0)
|   |   Angles >= 101
|   |   |   TOTAL_ENERGY < -5069.22 : 1 (11/0)
|   |   |   TOTAL_ENERGY >= -5069.22 : 0 (1/0)
FlexTorsions >= 9.5
|   Atoms < 72
|   |   HOMO_ENERGY < -8.75 : 0 (18/0)
|   |   HOMO_ENERGY >= -8.75
|   |   |   Atoms < 55.5 : 0 (4/0)
|   |   |   Atoms >= 55.5 : 1 (1/0)
|   Atoms >= 72 : 1 (1/0)

Size of the tree : 25


RandomTree
==========

Mass < 451.93
|   Sas < 705.61
|   |   HbAcc < 2.5 : 0 (6/0)
|   |   HbAcc >= 2.5
|   |   |   Dipole < 4.3
|   |   |   |   Sav < 974.86
|   |   |   |   |   Psa < 80.31 : 0 (1/0)
|   |   |   |   |   Psa >= 80.31 : 1 (8/0)
|   |   |   |   Sav >= 974.86
|   |   |   |   |   DIPOLE < 3.34 : 1 (2/0)
|   |   |   |   |   DIPOLE >= 3.34
|   |   |   |   |   |   Bonds < 52.5 : 0 (8/0)
|   |   |   |   |   |   Bonds >= 52.5 : 1 (1/0)
|   |   |   Dipole >= 4.3 : 1 (11/0)
|   Sas >= 705.61
|   |   ASA < 369.6 : 0 (20/0)
|   |   ASA >= 369.6
|   |   |   LUMO_ENERGY < -1.08 : 0 (4/0)
|   |   |   LUMO_ENERGY >= -1.08 : 1 (2/0)
Mass >= 451.93
|   ELECTRONIC_ENERGY < -44092.91
|   |   Dipole < 2.49 : 1 (7/0)
|   |   Dipole >= 2.49
|   |   |   HeavyAtoms < 39.5 : 0 (4/0)
|   |   |   HeavyAtoms >= 39.5 : 1 (1/0)
|   ELECTRONIC_ENERGY >= -44092.91 : 1 (9/0)

Size of the tree : 27


RandomTree
==========

Gyrrad < 5.7
|   MOLECULAR_WEIGHT < 367.39
|   |   HOMO_ENERGY < -8.26
|   |   |   ELECTRONIC_ENERGY < -21236.82
|   |   |   |   Sas < 613.75 : 1 (12/0)
|   |   |   |   Sas >= 613.75
|   |   |   |   |   FlexTorsions < 7.5 : 1 (4/0)
|   |   |   |   |   FlexTorsions >= 7.5 : 0 (1/0)
|   |   |   ELECTRONIC_ENERGY >= -21236.82 : 0 (1/0)
|   |   HOMO_ENERGY >= -8.26
|   |   |   Gyrrad < 5.11
|   |   |   |   Angles < 59 : 0 (1/0)
|   |   |   |   Angles >= 59 : 1 (2/0)
|   |   |   Gyrrad >= 5.11 : 0 (5/0)
|   MOLECULAR_WEIGHT >= 367.39
|   |   EzBnds < 2.5 : 0 (20/0)
|   |   EzBnds >= 2.5 : 1 (1/0)
Gyrrad >= 5.7
|   Sav < 1166.41 : 1 (13/0)
|   Sav >= 1166.41
|   |   CORE-CORE_REPULSION < 36638.73 : 0 (8/0)
|   |   CORE-CORE_REPULSION >= 36638.73
|   |   |   Volume < 422.47 : 1 (12/0)
|   |   |   Volume >= 422.47
|   |   |   |   ELECTRONIC_ENERGY < -47921.38 : 1 (3/0)
|   |   |   |   ELECTRONIC_ENERGY >= -47921.38 : 0 (1/0)

Size of the tree : 27


RandomTree
==========

Impropers < 13.5
|   HOMO_ENERGY < -8.26
|   |   Bonds < 43.5
|   |   |   Atoms < 41.5 : 1 (7/0)
|   |   |   Atoms >= 41.5 : 0 (2/0)
|   |   Bonds >= 43.5 : 1 (19/0)
|   HOMO_ENERGY >= -8.26 : 0 (5/0)
Impropers >= 13.5
|   Mass < 367.92
|   |   ASA < 243.44 : 0 (1/0)
|   |   ASA >= 243.44
|   |   |   Sas < 675.36 : 1 (9/0)
|   |   |   Sas >= 675.36 : 0 (1/0)
|   Mass >= 367.92
|   |   MOLECULAR_WEIGHT < 445.91 : 0 (24/0)
|   |   MOLECULAR_WEIGHT >= 445.91
|   |   |   Dipole < 2.49 : 1 (4/0)
|   |   |   Dipole >= 2.49
|   |   |   |   Angles < 131
|   |   |   |   |   HEAT_OF_FORMATION < -133.67 : 1 (1/0)
|   |   |   |   |   HEAT_OF_FORMATION >= -133.67 : 0 (10/0)
|   |   |   |   Angles >= 131 : 1 (1/0)

Size of the tree : 23


RandomTree
==========

Impropers < 13.5
|   IONIZATION_POTENTIAL < 8.21 : 0 (4/0)
|   IONIZATION_POTENTIAL >= 8.21
|   |   Lipole < 0.83 : 0 (1/0)
|   |   Lipole >= 0.83
|   |   |   Bonds < 56.5
|   |   |   |   HbTot < 7.5 : 1 (12/0)
|   |   |   |   HbTot >= 7.5
|   |   |   |   |   FlexTorsions < 7.5 : 1 (1/0)
|   |   |   |   |   FlexTorsions >= 7.5
|   |   |   |   |   |   Gyrrad < 4.82 : 1 (1/0)
|   |   |   |   |   |   Gyrrad >= 4.82 : 0 (2/0)
|   |   |   Bonds >= 56.5 : 1 (11/0)
Impropers >= 13.5
|   Sav < 1083.01
|   |   CORE-CORE_REPULSION < 21356.07 : 0 (2/0)
|   |   CORE-CORE_REPULSION >= 21356.07
|   |   |   Dipole < 2.14 : 0 (1/0)
|   |   |   Dipole >= 2.14 : 1 (11/0)
|   Sav >= 1083.01
|   |   HEAT_OF_FORMATION < 92.89 : 0 (36/0)
|   |   HEAT_OF_FORMATION >= 92.89 : 1 (2/0)

Size of the tree : 23


RandomTree
==========

FlexTorsions < 9.5
|   Angles < 78.5
|   |   Sav < 975.29
|   |   |   FlexTorsions < 3 : 0 (1/0)
|   |   |   FlexTorsions >= 3 : 1 (9/0)
|   |   Sav >= 975.29
|   |   |   Surface < 383.68 : 0 (6/0)
|   |   |   Surface >= 383.68
|   |   |   |   HeavyAtoms < 26.5 : 1 (1/0)
|   |   |   |   HeavyAtoms >= 26.5 : 0 (2/0)
|   Angles >= 78.5
|   |   Surface < 433.56 : 1 (16/0)
|   |   Surface >= 433.56
|   |   |   HEAT_OF_FORMATION < 51.64
|   |   |   |   Mass < 447.7 : 0 (2/0)
|   |   |   |   Mass >= 447.7 : 1 (1/0)
|   |   |   HEAT_OF_FORMATION >= 51.64
|   |   |   |   HOMO_ENERGY < -8.22 : 1 (12/0)
|   |   |   |   HOMO_ENERGY >= -8.22
|   |   |   |   |   Atoms < 59.5 : 1 (1/0)
|   |   |   |   |   Atoms >= 59.5 : 0 (1/0)
FlexTorsions >= 9.5
|   Gyrrad < 7.02
|   |   COSMO_VOLUME < 446.87 : 1 (1/0)
|   |   COSMO_VOLUME >= 446.87 : 0 (27/0)
|   Gyrrad >= 7.02 : 1 (4/0)

Size of the tree : 27


RandomTree
==========

Sas < 709.02
|   Angles < 79.5
|   |   Sav < 975.29
|   |   |   Ovality < 1.67
|   |   |   |   Sas < 513.71 : 1 (1/0)
|   |   |   |   Sas >= 513.71 : 0 (3/0)
|   |   |   Ovality >= 1.67 : 1 (5/0)
|   |   Sav >= 975.29 : 0 (8/0)
|   Angles >= 79.5
|   |   ASA < 355.8 : 1 (21/0)
|   |   ASA >= 355.8 : 0 (1/0)
Sas >= 709.02
|   Rings < 3.5 : 0 (27/0)
|   Rings >= 3.5
|   |   Gyrrad < 5.99 : 0 (4/0)
|   |   Gyrrad >= 5.99
|   |   |   Gyrrad < 6.94 : 1 (13/0)
|   |   |   Gyrrad >= 6.94 : 0 (1/0)

Size of the tree : 19


RandomTree
==========

Gyrrad < 5.72
|   Torsions < 26.5
|   |   Angles < 57.5 : 0 (4/0)
|   |   Angles >= 57.5
|   |   |   Mass < 309.4 : 1 (8/0)
|   |   |   Mass >= 309.4
|   |   |   |   VirtualLogP < 1.34 : 1 (6/0)
|   |   |   |   VirtualLogP >= 1.34
|   |   |   |   |   LUMO_ENERGY < -0.85
|   |   |   |   |   |   TOTAL_ENERGY < -4111.9
|   |   |   |   |   |   |   DIPOLE < 6.13 : 0 (3/0)
|   |   |   |   |   |   |   DIPOLE >= 6.13 : 1 (1/0)
|   |   |   |   |   |   TOTAL_ENERGY >= -4111.9 : 1 (3/0)
|   |   |   |   |   LUMO_ENERGY >= -0.85 : 0 (6/0)
|   Torsions >= 26.5 : 0 (18/0)
Gyrrad >= 5.72
|   Sas < 816.97
|   |   EzBnds < 0.5
|   |   |   Angles < 106.5
|   |   |   |   Sas < 773.79
|   |   |   |   |   DIPOLE < 4.4
|   |   |   |   |   |   Lipole < 1.86 : 0 (2/0)
|   |   |   |   |   |   Lipole >= 1.86 : 1 (1/0)
|   |   |   |   |   DIPOLE >= 4.4 : 1 (8/0)
|   |   |   |   Sas >= 773.79 : 1 (11/0)
|   |   |   Angles >= 106.5 : 0 (2/0)
|   |   EzBnds >= 0.5 : 0 (3/0)
|   Sas >= 816.97 : 1 (8/0)

Size of the tree : 29


RandomTree
==========

Torsions < 25.5
|   ELECTRONIC_ENERGY < -21236.82
|   |   HbTot < 9
|   |   |   Rings < 1.5
|   |   |   |   Bonds < 44.5 : 1 (4/0)
|   |   |   |   Bonds >= 44.5 : 0 (1/0)
|   |   |   Rings >= 1.5 : 1 (17/0)
|   |   HbTot >= 9 : 0 (1/0)
|   ELECTRONIC_ENERGY >= -21236.82 : 0 (4/0)
Torsions >= 25.5
|   NO._OF_FILLED_LEVELS < 84
|   |   Impropers < 13.5
|   |   |   Psa < 104.9
|   |   |   |   Vdiam < 8.87
|   |   |   |   |   MOLECULAR_WEIGHT < 348.9 : 1 (2/0)
|   |   |   |   |   MOLECULAR_WEIGHT >= 348.9 : 0 (9/0)
|   |   |   |   Vdiam >= 8.87 : 1 (3/0)
|   |   |   Psa >= 104.9 : 1 (4/0)
|   |   Impropers >= 13.5 : 0 (25/0)
|   NO._OF_FILLED_LEVELS >= 84
|   |   Dipole < 2.49 : 1 (8/0)
|   |   Dipole >= 2.49
|   |   |   Ovality < 1.85 : 1 (2/0)
|   |   |   Ovality >= 1.85 : 0 (4/0)

Size of the tree : 25


RandomTree
==========

COSMO_AREA < 427.06
|   Ovality < 1.72
|   |   HEAT_OF_FORMATION < 35.37
|   |   |   Angles < 65.5 : 0 (2/0)
|   |   |   Angles >= 65.5 : 1 (5/0)
|   |   HEAT_OF_FORMATION >= 35.37 : 0 (6/0)
|   Ovality >= 1.72
|   |   FlexTorsions < 8.5 : 1 (26/0)
|   |   FlexTorsions >= 8.5
|   |   |   IONIZATION_POTENTIAL < 8.86 : 1 (2/0)
|   |   |   IONIZATION_POTENTIAL >= 8.86 : 0 (2/0)
COSMO_AREA >= 427.06
|   FlexTorsions < 9.5
|   |   HbDon < 6.5
|   |   |   Surface < 476.56
|   |   |   |   HEAT_OF_FORMATION < 140.04 : 0 (3/0)
|   |   |   |   HEAT_OF_FORMATION >= 140.04 : 1 (1/0)
|   |   |   Surface >= 476.56 : 1 (10/0)
|   |   HbDon >= 6.5
|   |   |   Atoms < 58.5 : 0 (3/0)
|   |   |   Atoms >= 58.5
|   |   |   |   Gyrrad < 7.12 : 0 (3/0)
|   |   |   |   Gyrrad >= 7.12 : 1 (1/0)
|   FlexTorsions >= 9.5
|   |   Rings < 5 : 0 (19/0)
|   |   Rings >= 5 : 1 (1/0)

Size of the tree : 27


RandomTree
==========

LUMO_ENERGY < -1.6 : 1 (7/0)
LUMO_ENERGY >= -1.6
|   Psa < 122.35
|   |   HOMO_ENERGY < -8.94
|   |   |   FlexTorsions < 8.5
|   |   |   |   HbDon < 2.5 : 0 (4/0)
|   |   |   |   HbDon >= 2.5 : 1 (3/0)
|   |   |   FlexTorsions >= 8.5 : 0 (6/0)
|   |   HOMO_ENERGY >= -8.94
|   |   |   Bonds < 49.5
|   |   |   |   HEAT_OF_FORMATION < 23.61 : 1 (7/0)
|   |   |   |   HEAT_OF_FORMATION >= 23.61
|   |   |   |   |   NO._OF_FILLED_LEVELS < 58 : 1 (2/0)
|   |   |   |   |   NO._OF_FILLED_LEVELS >= 58
|   |   |   |   |   |   Atoms < 45.5 : 0 (6/0)
|   |   |   |   |   |   Atoms >= 45.5
|   |   |   |   |   |   |   Bonds < 48.5 : 1 (1/0)
|   |   |   |   |   |   |   Bonds >= 48.5 : 0 (1/0)
|   |   |   Bonds >= 49.5 : 1 (15/0)
|   Psa >= 122.35
|   |   NO._OF_FILLED_LEVELS < 84 : 0 (19/0)
|   |   NO._OF_FILLED_LEVELS >= 84
|   |   |   Gyrrad < 5.88 : 0 (4/0)
|   |   |   Gyrrad >= 5.88
|   |   |   |   IONIZATION_POTENTIAL < 8.22 : 0 (1/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.22 : 1 (8/0)

Size of the tree : 27


RandomTree
==========

Sav < 1151.92
|   Sdiam < 11.02
|   |   Vdiam < 8.28
|   |   |   Sav < 815.05
|   |   |   |   Psa < 82.79 : 0 (4/0)
|   |   |   |   Psa >= 82.79 : 1 (1/0)
|   |   |   Sav >= 815.05 : 1 (9/0)
|   |   Vdiam >= 8.28 : 0 (7/0)
|   Sdiam >= 11.02
|   |   Lipole < 2.54 : 1 (20/0)
|   |   Lipole >= 2.54
|   |   |   Surface < 421.57
|   |   |   |   VirtualLogP < 3.06 : 1 (2/0)
|   |   |   |   VirtualLogP >= 3.06 : 0 (1/0)
|   |   |   Surface >= 421.57 : 0 (2/0)
Sav >= 1151.92
|   Mass < 440.99
|   |   Charge < 0.5 : 0 (18/0)
|   |   Charge >= 0.5 : 1 (1/0)
|   Mass >= 440.99
|   |   FlexTorsions < 11.5
|   |   |   VirtualLogP < 3.31
|   |   |   |   Bonds < 64 : 1 (2/0)
|   |   |   |   Bonds >= 64 : 0 (3/0)
|   |   |   VirtualLogP >= 3.31 : 1 (10/0)
|   |   FlexTorsions >= 11.5 : 0 (4/0)

Size of the tree : 27


RandomTree
==========

FlexTorsions < 9.5
|   ASA < 235.22 : 0 (7/0)
|   ASA >= 235.22
|   |   HOMO_ENERGY < -8.25
|   |   |   LUMO_ENERGY < -0.52
|   |   |   |   Sdiam < 11.98 : 1 (24/0)
|   |   |   |   Sdiam >= 11.98
|   |   |   |   |   Angles < 96 : 0 (1/0)
|   |   |   |   |   Angles >= 96 : 1 (9/0)
|   |   |   LUMO_ENERGY >= -0.52
|   |   |   |   EzBnds < 0.5 : 1 (1/0)
|   |   |   |   EzBnds >= 0.5 : 0 (1/0)
|   |   HOMO_ENERGY >= -8.25
|   |   |   LUMO_ENERGY < -0.6
|   |   |   |   Dipole < 1.69 : 1 (3/0)
|   |   |   |   Dipole >= 1.69
|   |   |   |   |   LUMO_ENERGY < -0.98
|   |   |   |   |   |   Bonds < 50 : 0 (1/0)
|   |   |   |   |   |   Bonds >= 50 : 1 (1/0)
|   |   |   |   |   LUMO_ENERGY >= -0.98 : 0 (14/0)
|   |   |   LUMO_ENERGY >= -0.6 : 1 (3/0)
FlexTorsions >= 9.5 : 0 (19/0)

Size of the tree : 23


RandomTree
==========

HEAT_OF_FORMATION < 9.19
|   COSMO_AREA < 416.19
|   |   Bonds < 45.5
|   |   |   DIPOLE < 5.83 : 0 (8/0)
|   |   |   DIPOLE >= 5.83
|   |   |   |   Angles < 56 : 0 (1/0)
|   |   |   |   Angles >= 56 : 1 (1/0)
|   |   Bonds >= 45.5 : 1 (15/0)
|   COSMO_AREA >= 416.19 : 0 (23/0)
HEAT_OF_FORMATION >= 9.19
|   HeavyAtoms < 31
|   |   Mass < 344.89 : 1 (9/0)
|   |   Mass >= 344.89
|   |   |   HEAT_OF_FORMATION < 29.14 : 1 (2/0)
|   |   |   HEAT_OF_FORMATION >= 29.14
|   |   |   |   DIPOLE < 6.05 : 0 (9/0)
|   |   |   |   DIPOLE >= 6.05 : 1 (3/0)
|   HeavyAtoms >= 31 : 1 (13/0)

Size of the tree : 19


RandomTree
==========

Ovality < 1.66 : 0 (8/0)
Ovality >= 1.66
|   ChiralAtms < 0.5
|   |   Lipole < 5.18
|   |   |   Psa < 125.56
|   |   |   |   CORE-CORE_REPULSION < 27179.99
|   |   |   |   |   ELECTRONIC_ENERGY < -29645.45 : 0 (3/0)
|   |   |   |   |   ELECTRONIC_ENERGY >= -29645.45
|   |   |   |   |   |   Volume < 294.59 : 1 (8/0)
|   |   |   |   |   |   Volume >= 294.59
|   |   |   |   |   |   |   Sas < 631.35 : 0 (2/0)
|   |   |   |   |   |   |   Sas >= 631.35 : 1 (7/0)
|   |   |   |   CORE-CORE_REPULSION >= 27179.99 : 1 (21/0)
|   |   |   Psa >= 125.56
|   |   |   |   IONIZATION_POTENTIAL < 8.66
|   |   |   |   |   Gyrrad < 7.14 : 0 (8/0)
|   |   |   |   |   Gyrrad >= 7.14 : 1 (1/0)
|   |   |   |   IONIZATION_POTENTIAL >= 8.66 : 1 (7/0)
|   |   Lipole >= 5.18 : 0 (6/0)
|   ChiralAtms >= 0.5
|   |   Atoms < 52.5 : 1 (1/0)
|   |   Atoms >= 52.5 : 0 (12/0)

Size of the tree : 23


RandomTree
==========

Sdiam < 11.75
|   Surface < 349.77
|   |   TOTAL_ENERGY < -3266.73 : 0 (6/0)
|   |   TOTAL_ENERGY >= -3266.73 : 1 (2/0)
|   Surface >= 349.77
|   |   Ovality < 1.74
|   |   |   Sas < 655.3
|   |   |   |   Angles < 77.5 : 1 (10/0)
|   |   |   |   Angles >= 77.5 : 0 (1/0)
|   |   |   Sas >= 655.3 : 0 (2/0)
|   |   Ovality >= 1.74 : 1 (11/0)
Sdiam >= 11.75
|   HEAT_OF_FORMATION < 58.83
|   |   HbAcc < 6.5
|   |   |   VirtualLogP < 3.91 : 0 (33/0)
|   |   |   VirtualLogP >= 3.91 : 1 (1/0)
|   |   HbAcc >= 6.5 : 1 (3/0)
|   HEAT_OF_FORMATION >= 58.83
|   |   Angles < 90.5 : 0 (2/0)
|   |   Angles >= 90.5
|   |   |   Torsions < 37.5 : 1 (10/0)
|   |   |   Torsions >= 37.5
|   |   |   |   Angles < 120.5 : 0 (2/0)
|   |   |   |   Angles >= 120.5 : 1 (1/0)

Size of the tree : 25


RandomTree
==========

ChiralAtms < 0.5
|   Vdiam < 9.08
|   |   Sas < 717.59
|   |   |   HOMO_ENERGY < -8.27
|   |   |   |   Angles < 57.5 : 0 (2/0)
|   |   |   |   Angles >= 57.5
|   |   |   |   |   Surface < 381.28
|   |   |   |   |   |   FlexTorsions < 8.5 : 1 (9/0)
|   |   |   |   |   |   FlexTorsions >= 8.5 : 0 (2/0)
|   |   |   |   |   Surface >= 381.28 : 1 (13/0)
|   |   |   HOMO_ENERGY >= -8.27
|   |   |   |   Bonds < 50 : 0 (6/0)
|   |   |   |   Bonds >= 50 : 1 (2/0)
|   |   Sas >= 717.59 : 0 (6/0)
|   Vdiam >= 9.08 : 1 (18/0)
ChiralAtms >= 0.5
|   Angles < 121.5
|   |   Lipole < 4.74 : 0 (23/0)
|   |   Lipole >= 4.74 : 1 (1/0)
|   Angles >= 121.5 : 1 (2/0)

Size of the tree : 21


RandomTree
==========

Sav < 1149.86
|   Ovality < 1.65 : 0 (4/0)
|   Ovality >= 1.65
|   |   Sav < 982 : 1 (15/0)
|   |   Sav >= 982
|   |   |   Sav < 1000.22 : 0 (4/0)
|   |   |   Sav >= 1000.22
|   |   |   |   FlexTorsions < 5.5
|   |   |   |   |   HeavyAtoms < 28.5 : 0 (4/0)
|   |   |   |   |   HeavyAtoms >= 28.5 : 1 (1/0)
|   |   |   |   FlexTorsions >= 5.5
|   |   |   |   |   Atoms < 50.5 : 1 (18/0)
|   |   |   |   |   Atoms >= 50.5
|   |   |   |   |   |   HbDon < 3.5 : 0 (2/0)
|   |   |   |   |   |   HbDon >= 3.5 : 1 (1/0)
Sav >= 1149.86
|   Sav < 1286.68
|   |   TOTAL_ENERGY < -4648.89 : 0 (20/0)
|   |   TOTAL_ENERGY >= -4648.89 : 1 (1/0)
|   Sav >= 1286.68
|   |   LUMO_ENERGY < -1.34 : 0 (3/0)
|   |   LUMO_ENERGY >= -1.34
|   |   |   FlexTorsions < 7.5 : 0 (2/0)
|   |   |   FlexTorsions >= 7.5
|   |   |   |   Gyrrad < 5.9 : 0 (1/0)
|   |   |   |   Gyrrad >= 5.9 : 1 (8/0)

Size of the tree : 27


RandomTree
==========

Lipole < 2.85
|   Lipole < 1.14 : 0 (5/0)
|   Lipole >= 1.14
|   |   FlexTorsions < 9
|   |   |   HOMO_ENERGY < -8.18 : 1 (27/0)
|   |   |   HOMO_ENERGY >= -8.18
|   |   |   |   HbDon < 3.5 : 0 (1/0)
|   |   |   |   HbDon >= 3.5 : 1 (3/0)
|   |   FlexTorsions >= 9 : 0 (2/0)
Lipole >= 2.85
|   HOMO_ENERGY < -9.41 : 1 (4/0)
|   HOMO_ENERGY >= -9.41
|   |   ChiralAtms < 0.5
|   |   |   Bonds < 59.5
|   |   |   |   ASA < 235.22 : 0 (10/0)
|   |   |   |   ASA >= 235.22
|   |   |   |   |   Bonds < 48 : 1 (3/0)
|   |   |   |   |   Bonds >= 48 : 0 (6/0)
|   |   |   Bonds >= 59.5 : 1 (4/0)
|   |   ChiralAtms >= 0.5 : 0 (19/0)

Size of the tree : 21


RandomTree
==========

Bonds < 48.5
|   ELECTRONIC_ENERGY < -21236.82
|   |   Ovality < 1.66
|   |   |   Sas < 547.48 : 1 (3/0)
|   |   |   Sas >= 547.48 : 0 (3/0)
|   |   Ovality >= 1.66 : 1 (26/0)
|   ELECTRONIC_ENERGY >= -21236.82 : 0 (2/0)
Bonds >= 48.5
|   LUMO_ENERGY < -1.64 : 1 (9/0)
|   LUMO_ENERGY >= -1.64
|   |   Mass < 445.91
|   |   |   TOTAL_ENERGY < -4309.5
|   |   |   |   Sdiam < 12.5 : 0 (21/0)
|   |   |   |   Sdiam >= 12.5
|   |   |   |   |   HbAcc < 5.5 : 0 (2/0)
|   |   |   |   |   HbAcc >= 5.5 : 1 (1/0)
|   |   |   TOTAL_ENERGY >= -4309.5 : 1 (2/0)
|   |   Mass >= 445.91
|   |   |   FlexTorsions < 11.5
|   |   |   |   LUMO_ENERGY < -1.46 : 0 (1/0)
|   |   |   |   LUMO_ENERGY >= -1.46
|   |   |   |   |   HEAT_OF_FORMATION < 88.51 : 1 (9/0)
|   |   |   |   |   HEAT_OF_FORMATION >= 88.51
|   |   |   |   |   |   Gyrrad < 6.82 : 1 (2/0)
|   |   |   |   |   |   Gyrrad >= 6.82 : 0 (1/0)
|   |   |   FlexTorsions >= 11.5 : 0 (2/0)

Size of the tree : 27


RandomTree
==========

FlexTorsions < 9.5
|   CORE-CORE_REPULSION < 17889.23 : 0 (3/0)
|   CORE-CORE_REPULSION >= 17889.23
|   |   DIPOLE < 5.79
|   |   |   HOMO_ENERGY < -8.56
|   |   |   |   HbTot < 9 : 1 (7/0)
|   |   |   |   HbTot >= 9
|   |   |   |   |   Bonds < 53.5 : 0 (1/0)
|   |   |   |   |   Bonds >= 53.5 : 1 (1/0)
|   |   |   HOMO_ENERGY >= -8.56
|   |   |   |   Atoms < 48.5 : 0 (8/0)
|   |   |   |   Atoms >= 48.5
|   |   |   |   |   Lipole < 4.44
|   |   |   |   |   |   Bonds < 64
|   |   |   |   |   |   |   Sav < 1256.89
|   |   |   |   |   |   |   |   Lipole < 1.47 : 1 (2/0)
|   |   |   |   |   |   |   |   Lipole >= 1.47 : 0 (1/0)
|   |   |   |   |   |   |   Sav >= 1256.89 : 1 (4/0)
|   |   |   |   |   |   Bonds >= 64 : 0 (2/0)
|   |   |   |   |   Lipole >= 4.44 : 0 (3/0)
|   |   DIPOLE >= 5.79
|   |   |   HOMO_ENERGY < -8.19
|   |   |   |   CORE-CORE_REPULSION < 23346.24
|   |   |   |   |   Sdiam < 10.89 : 1 (4/0)
|   |   |   |   |   Sdiam >= 10.89 : 0 (1/0)
|   |   |   |   CORE-CORE_REPULSION >= 23346.24 : 1 (20/0)
|   |   |   HOMO_ENERGY >= -8.19
|   |   |   |   Torsions < 21.5 : 1 (2/0)
|   |   |   |   Torsions >= 21.5 : 0 (2/0)
FlexTorsions >= 9.5
|   Volume < 487.73 : 0 (20/0)
|   Volume >= 487.73 : 1 (3/0)

Size of the tree : 33



Time taken to build model: 0.06 seconds

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

Correctly Classified Instances          58               69.0476 %
Incorrectly Classified Instances        26               30.9524 %
Kappa statistic                          0.3813
Mean absolute error                      0.3644
Root mean squared error                  0.4285
Relative absolute error                 72.881  %
Root relative squared error             85.6665 %
Total Number of Instances               84     

=== Detailed Accuracy By Class ===

                 TP Rate  FP Rate  Precision  Recall   F-Measure  MCC      ROC Area  PRC Area  Class
                 0,674    0,293    0,707      0,674    0,690      0,382    0,775     0,838     0
                 0,707    0,326    0,674      0,707    0,690      0,382    0,775     0,715     1
Weighted Avg.    0,690    0,309    0,691      0,690    0,690      0,382    0,775     0,778     

=== Confusion Matrix ===

  a  b   <-- classified as
 29 14 |  a = 0
 12 29 |  b = 1

