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Table 11 Statistical validation results of the best 3D-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

3D-QSAR models

Q2

R2

SEE

N

R2test

CoMFA_E + S

0.643

0.962

0.0779

5

0.6318

CoMSIA_E + D

0.701

0.873

0.1338

3

0.6154

CoMSIA_S + E + D

0.702

0.877

0.1318

3

0.6535

CoMSIA_E + D + H

0.699

0.879

0.1306

3

0.6070

CoMSIA_S + E + D + H

0.700

0.882

0.1288

3

0.6610