Model Data set QLOO2 RMSECV R F
MLR Training 0.800 2.835 0.916 167.043
Prediction   2.615 0.913 35.037
MLP-NN Training 0.947 1.479 0.950 294.777
Validation   1.365 0.969  
Test   2.353 0.918  
Prediction   2.597 0.925 46.563
GR-NN Training 0.951 1.245 0.975 329.924
Validation   1.463 0.966  
Test   2.084 0.950  
Prediction   2.210 0.937 48.614
Table 4: Statistical results of the MLR and ANN models.