Table 5 Minimum suggested value of authentication parameters for a generally satisfactory QSAR model

R²

Coefficient of determination

≥ 0.6

P _(95%)

Confidence interval at 95% confidence level

< 0.05

Q²_CV

Cross validation coefficient

> 0.5

R²–Q²_CV

Difference between R² and Q²_CV

≤ 0.3

N_{ext. test set}

Minimum number of an external test set

≥ 5

cR\( {\displaystyle \begin{array}{c}2\\ {}p\end{array}} \)

Coefficient of determination for Y-randomization

> 0.5