Modelling of the Antibacterial Activity of Some Benzimidazole Derivatives

Authors: Nigar N and Agrawal VK*

DOI: 10.23880/act-16000276

Volume 8, Issue 3

Abstract

In this study, an attempt has been made to obtain the most significant QSAR model for modeling the logMIC activity of the benzimidazole derivatives as synthesized and reported by Seydal. For this purpose, some topological descriptors have been calculated using mol files created through Chemsketch software. The Dragon software has been used for the calculation of a pool of descriptors. Then stepwise regression analysis was done which resulted in statistically significant models. A twoparametric model has been found to be the best with R2 equal to 0.9487. The R2cv for the model comes out to be 0.94595 which confirms that the model may be accepted. The other tests for the proposed model e.g., VIF parameters and Ridge analysis also support the findings.

Keywords: Antibacterial Activity; Benzimidazole Derivatives; Topological Descriptors; QSAR Modeling; Cross Validation

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