Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-1,3,5-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types
Table 7
Calculation of Golbraikh and Tropsha criteria.
Parameter
Formula
Threshold
Modelscore
>0.6
0.75
Coefficient of determination for the plot of predicted versus observed for the test set
0.77
at zero intercept
0.71
for the plot of observed versus predicted activity for the test set at zero intercept
0.59
0.12
k
Slope of the plot of predicted versus observed activity for the test set at zero intercept
0.85 < k < 1.15
1.07
0.07
Slope of the plot of observed versus predicted activity at zero intercept