Research Article

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 6

Comparison between experimental and predicted log IC50 values of the external test set for the MLR model based on descriptors of (3).

NLog IC50Pred log IC50Residuals

51.5001.565−0.0400
91.1931.5890.4674
152.1302.8880.2912
200.8970.517−0.1386
270.9530.8420.0982
331.6031.089−0.6781