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Table 3 External validation parameters of the 2D-QSAR models

From: Computational modelling studies of some 1,3-thiazine derivatives as anti-influenza inhibitors targeting H1N1 neuraminidase via 2D-QSAR, 3D-QSAR, molecular docking, and ADMET predictions

External validation metrics

GFA-MLR model

GFA-ANN (4-5-1) model

Threshold

Comment

References

Pearson correlation squared (\(r_{{{\text{test}}}}^{2}\))

0.8943

0.8831

R2test > 0.6

Passed

[37]

\(R_{{{\text{pred}}}}^{2}\)

0.7745

0.7763

\(R_{pred}^{2}\) > 0.5

Passed

[37]

Δ\(\overline{R}_{m}^{2}\)(test)

0.0804

 < 0.5

Passed

 

\(r_{0}^{2}\)

0.8943

 > 0.5

Passed

 

RMSEP

0.1835

0.1813

 

\(r_{0}^{\prime 2}\)

0.8923

 > 0.5

Passed

[37]

\(\left| {r_{0}^{2} - r_{0}^{\prime } } \right|\)

0.0172

\(\left| {r_{0}^{2} - r_{0}^{\prime } } \right|\)< 0.3

Passed