Quantitative Structure-Activity Relationship (QSAR) Study of A Series of 2-Thioarylalkyl Benzimidazole Derivatives by the Density Functional Theory (DFT)

Abstract

In this work, we used the quantum density theory (DFT), B3LYP / 6-311G (d, p) to establish a QSAR (Quantitative Structure Activity Relationships) model on a series of molecules derived from 2-thioarylalkyl-1H -Benzimidazole. This model is built with molecular descriptors and anthelmintic activities against the Haemonchus contortus. This model has as statistical indicators.