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Table 1 Comparison of accuracy of standard classification and class assignment based on the regression output

From: How can SHAP values help to shape metabolic stability of chemical compounds?

Dataset

Human

Rat

Model

Representation

Class

Class. via regression

Class

Class. via regression

SVM

MACCS

0.745

0.695

0.676

0.686

KRFP

0.759

0.672

0.676

0.751

Trees

MACCS

0.737

0.692

0.659

0.686

KRFP

0.734

0.661

0.670

0.676

  1. Comparison of efficiency of classification experiments (standard and using class assignment based on the regression output) expressed as accuracy. Higher values in a particular comparison setup are depicted in bold