QSAR Study on Imidazole Derivatives as Corrosion Inhibitors by Genetic Function Approximation Method

Abstract:

Quantitative structure and activity relationship (QSAR) method is becoming more desirable for predicting of corrosion inhibition properties. The inhibition efficiency of organic compounds is dependent on many basic molecular descriptors, including structural descriptors, thermodynamic descriptors, information content descriptors, topological descriptors as Wiener index, Zagreb index and molecular connectivity indices. A genetic function approximation approach was used to run the regression analysis and establish correlations between different types of descriptors and measured corrosion inhibition efficiency for imidazole derivatives. A QSAR equation was developed and used to predict the corrosion inhibition efficiency for 18 imidazole derivatives. The prediction of corrosion efficiencies of these compounds nicely matched the experimental measurements.

• Periodical: Materials Science Forum (Volume 850)
• Pages: 426-432
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.850.426
• Online since: March 2016
• Authors: Sang Xiong, Jian Lin Sun, Yang Xu, Xu Dong Yan
• Keywords: Genetic Function Approximation, Imidazole, Inhibition Efficiency, Modeling Studies

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