Skip to main content

Table 2 Mean Absolute Error (MAE) – calculated by 10-fold cross-validation – in the prediction of log Vss by each regression method, in model selection dataset (with 402 compounds)

From: Predicting volume of distribution with decision tree-based regression methods using predicted tissue:plasma partition coefficients

Regression method MAE (logVss)
Descriptor set includes predicted log K t:p ’s Descriptor set without predicted log K t:p ’s Descriptor set selected by genetic CFS
M5P-4 0.3891 0.3698 0.3739
M5P-6 0.3823 0.3665 0.4003
M5P-8 0.4715 0.3616 0.3847
M5P-10 0.4751 0.3658 0.3763
M5P-RegTree 0.3689 0.3772 0.3782
REPTree 0.3824 0.4330 0.3974
M5Rules 0.3911 0.3843 0.3836
Bagging (M5P) 0.3713 0.3371 0.3509