Research Article

The Development of Models Based on Linear and Nonlinear Multivariate Methods to Predict ADME/PK Properties Using Physicochemical Properties of Kinase, Protease Inhibitors, and GPCR Antagonists

Table 1

Statistics results of , RMSE, MAE, and standard deviation for training set, test set, external prediction set.

ā€‰ RMSEMAEStandard deviation

Training set0.984.552.9037.68
Test set0.7714.3212.1622.64
External prediction set0.8619.1414.7637.20