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TableĀ 3 The best regression models for some ADMET related properties (Part 1)

From: ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Property Method mtry R2 Q2 R T 2 RMSEF RMSECV RMSET
LogS RF 10 0.980 0.860 0.979 0.095 0.698 0.712
LogD7.4 RF 14 0.983 0.877 0.874 0.228 0.614 0.605
Caco-2 RF 14 0.973 0.845 0.824 0.121 0.289 0.290
PPB RF 8 0.954 0.691 0.682 7.124 18.443 18.044
VD RF 10 0.950 0.634 0.556 0.281 0.762 0.948