Table 5 Validated parameters of the QSAR model

Training set

Friedman LOF

0.151244

–

–

R-squared (R²)

0.801298

 ≥ 0.6

Passed

Adjusted R-squared (\(R_{{{\text{adj}}}}^{2}\))

0.748311

 ≥ 0.5

Passed

Cross-validated R-squared (\(Q_{{{\text{cv}}}}^{2}\))

0.710284

 ≥ 0.5

Passed

R² − \(Q_{{{\text{cv}}}}^{2}\)

0.091014

 ≤ 0.3

Passed

Significant regression

Yes

–

–

Significance-of-regression F-value

15.122516

–

–

Critical SOR F-value (95%)

3.103976

–

–

Replicate points

1

–

–

Computed experimental error

0.21286

–

–

Lack-of-fit points

14

–

–

Min expt. error for nonsignificant LOF (95%)

0.000000

–

–

Test set

R-squared (\(R_{{{\text{test}}}}^{2}\)) i.e.\(r^{2}\)

0.892

 ≥ 0.6

Passed

Number of test set compounds (N_{test set})

8

 ≥ 5

Passed

\(\left| {r_{o}^{2} - r_{o}^{{{^{\prime}}2}} } \right|\)

0.00599

˂ 0.3

Passed

\(\left| {r^{2} - \frac{{r_{o}^{{{^{\prime}}2}} }}{{r^{2} }}} \right|\)

0.00093

˂ 0.1

Passed

kʹ

1.03956

0.85 ≤ kʹ ≤ 1.15

Passed