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Qsar Study of Anthranilic Acid Sulfonamides As Inhibitors of Methionine Aminopeptidase-2 Using Ls-Svm and Grnn Based on Principal Components Publisher Pubmed



Shahlaei M1, 2 ; Sabet R2 ; Ziari MB3 ; Moeinifard B3 ; Fassihi A2, 4 ; Karbakhsh R5
Authors

Source: European Journal of Medicinal Chemistry Published:2010


Abstract

Quantitative relationships between molecular structure and methionine aminopeptidase-2 inhibitory activity of a series of cytotoxic anthranilic acid sulfonamide derivatives were discovered. We have demonstrated the detailed application of two efficient nonlinear methods for evaluation of quantitative structure-activity relationships of the studied compounds. Components produced by principal component analysis as input of developed nonlinear models were used. The performance of the developed models namely PC-GRNN and PC-LS-SVM were tested by several validation methods. The resulted PC-LS-SVM model had a high statistical quality (R2=0.91 and RCV2=0.81) for predicting the cytotoxic activity of the compounds. Comparison between predictability of PC-GRNN and PC-LS-SVM indicates that later method has higher ability to predict the activity of the studied molecules. © 2010 Elsevier Masson SAS. All rights reserved.
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