Table 3 Golbraikh and Tropsha acceptable model criteria

Q²_cv

Q²_cv > 0.5

0.598

R²_train

R²_train > 0.6

0.729

R²_test

R²_test > 0.6

0.672

\( \left|{r}_0^2-{r}_{\kern0.75em 0\prime}^2\right| \)

\( \left|{r}_0^2-{r}_{\kern0.75em 0\prime}^2\right| \) < 0.3

0.019

k

0.85 < k < 1.15

1.032

k′

0.85 < k′ < 1.15

0.967

(r² − r₀²)/r²

(r² − r₀²)/r² < 0.1

0.018

(r² − r′₀²)/r²

(r² − r′₀²)/r² < 0.1

0.098