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 𝑅², RMSE, MAE, and standard deviation for training set, test set, external prediction set.

	𝑅^2	RMSE	MAE	Standard deviation
Training set	0.98	4.55	2.90	37.68
Test set	0.77	14.32	12.16	22.64
External prediction set	0.86	19.14	14.76	37.20