
;********************************************
;****           REBOL example            ****
;**** (c) 2017-2019, Alessandro Pedretti ****
;********************************************


REBOL [
  Title:   "random_forest_test"
  File:    %random_forest_test.r
  Date:    04-Apr-2019
  Version: 1.0.0
  Author:  "Alessandro Pedretti"
]

do %random_forest.r


;**** Prediction example 1 ****

random_forest/Angles:       108.0
random_forest/Atoms:        60.0
random_forest/Bonds:        63.0
random_forest/Charge:       0.0
random_forest/ChiralAtms:   0.0
random_forest/Dipole:       2.54652
random_forest/EzBnds:       2.0
random_forest/FlexTorsions: 10.0
random_forest/Gyrrad:       7.528516
random_forest/HbAcc:        4.0
random_forest/HbDon:        2.0
random_forest/HeavyAtoms:   32.0
random_forest/Impropers:    21.0
random_forest/Lipole:       2.13308
random_forest/Mass:         448.5804
random_forest/Ovality:      1.894926
random_forest/Psa:          92.87458
random_forest/Rings:        4.0
random_forest/Sas:          809.6651
random_forest/Sav:          1316.951
random_forest/Sdiam:        12.73983
random_forest/Surface:      509.8912
random_forest/Torsions:     32.0
random_forest/Vdiam:        9.254815
random_forest/VirtualLogP:  4.190687
random_forest/Volume:       415.0514

print ""
print "* Example #1"
print ["  Domain violations: " random_forest/DomCheck " (must be 0)"]
print ["  Predicted class:   " random_forest/Classify " (real 0)"]


;**** Prediction example 2 ****

random_forest/Angles:        27.0
random_forest/Atoms:         18.0
random_forest/Bonds:         18.0
random_forest/Charge:        0.0
random_forest/ChiralAtms:    0.0
random_forest/Dipole:        0.245056
random_forest/EzBnds:        1.0
random_forest/FlexTorsions:  2.0
random_forest/Gyrrad:        2.415841
random_forest/HbAcc:         2.0
random_forest/HbDon:         4.0
random_forest/HeavyAtoms:    10.0
random_forest/Impropers:     9.0
random_forest/Lipole:        4.472592
random_forest/Mass:          156.2088
random_forest/Ovality:       1.382357
random_forest/Psa:           96.54134
random_forest/Rings:         1.0
random_forest/Sas:           330.8518
random_forest/Sav:           474.6761
random_forest/Sdiam:         7.461171
random_forest/Surface:       174.8896
random_forest/Torsions:      9.0
random_forest/Vdiam:         6.345953
random_forest/VirtualLogP:   0.500129
random_forest/Volume:        133.8102

print ""
print "* Example #2"
print ["  Domain violations: " random_forest/DomCheck " (must be 0)"]
print ["  Predicted class:   " random_forest/Classify " (real 1)"]


halt
