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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