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Beni-Suef University Journal of Basic and Applied Sciences

Table 9 Statistical validation results of probable CoMFA 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

Descriptors

Q2

R2

SEE

N

Steric (S)

0.315

0.822

0.1584

3

Electrostatic (E)

0.640

0.834

0.1528

3

S + E

0.643

0.962

0.0779

5

  1. Q2: leave-one-out cross-validated correlation coefficient; R2: non-cross-validated correlation coefficient; SEE: standard error of estimation; N: number of optimum components;
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