%0 Journal Article
%T G-QSAR studies of novel 1,2,4triazolo [3,4-b]-1,3,4-thiadiazole derivatives
%A Mayura A. Kale
%J -
%D 2015
%X In the present work, we have studied group quantitative structure¨Cactivity relationship (G-QSAR) to understand the correlation between the structures of a new emerging family of 1,2,4-triazolo [3,4-b]-1,3,4-thiadiazole derivatives and their antifungal activities. We have developed descriptive validated models, for development of newer antifungal agents containing the thiadiazole linked triazole pharmacophore. These studies have been performed on V-Life molecular design suite (MDS) software. For model validation, the dataset was divided into various training and test sets using sphere exclusion method. The developed G-QSAR models were found to be statistically significant with respect to training (r2>0.7), cross-validation (q2>0.5), and external validation (pred_r2>0.5). The developed G-QSAR model suggests that the nature of substitution on one of the aryl fragment is highly influential in determining biological activity
%K Mayura A. Kale and Kirtee G. Baheti
%K G-QSAR
%K Thiadiazole
%K Triazole
%K Antifungal
%K Model generation.
%U https://www.imedpub.com/abstract/gqsar-studies-of-novel-124triazolo-34b134thiadiazole-derivatives-11910.html