qsar modeling of antimicrobial activity with some novel 1,2,4triazole derivatives, comparison with experimental study
نویسندگان
چکیده
our study performed upon an extended series of 28 compounds of 1,2,4-triazole derivativesthat demonstrate substantial in vitro antimicrobial activities by serial plate dilution method,using quantitative structure-activity relationship (qsar) methods that imply analysis ofcorrelations and multiple linear regression (mlr); a significant collection of moleculardescriptors was used e.g., edge adjacency indices, getaway , 3d-morse , burdeneigenvalues and constitutional descriptors. the obtained multi-parametric models when adifferent class of molecular descriptors was used led to three correlation coefficients closed to0.900, 0.896 and 0.901 respectively. results indicated this is no significant statisticaldifferences between calculated activities of these compounds with laboratory methods thus,the obtained models allowed us to predict antimicrobial activity of substituted 1,2,4-triazolederivatives .
منابع مشابه
QSAR modeling of antimicrobial activity with some novel 1,2,4 triazole derivatives, comparison with experimental study
Our study performed upon an extended series of 28 compounds of 1,2,4-triazole derivatives that demonstrate substantial in vitro antimicrobial activities by serial plate dilution method, using quantitative structure-activity relationship (QSAR) methods that imply analysis of correlations and multiple linear regression (MLR); a significant collection of molecular descriptors was used e.g., Edge a...
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عنوان ژورنال:
iranian journal of mathematical chemistryناشر: university of kashan
ISSN 2228-6489
دوره 4
شماره 1 2013
میزبانی شده توسط پلتفرم ابری doprax.com
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