quantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods
نویسندگان
چکیده
a quantitative structure-activity relationship (qsar) study was conducted for the prediction of inhibitory activity of 1-phenyl[2h]-tetrahydro-triazine-3-one analogues as inhibitors of 5-lipoxygenase. the inhibitory activities of the 1-phenyl[2h]-tetrahydro-triazine-3-one analogues modeled as a function of molecular structures using chemometrics methods such as multiple linear regression (mlr) and least squares support vector machines (ls-svm). the obtained models were applied to predict the inhibitory activity of compounds which were not in the modeling procedure. the results of models showed high prediction ability with root mean square error of prediction of 0.167 and 0.061 for mlr and ls-svm, respectively. the ls-svm method was used for prediction of inhibitory activity of the new inhibitor derivatives.
منابع مشابه
Quantitative structure activity relationship study of inhibitory activities of 5-lipoxygenase and design new compounds by different chemometrics methods
A quantitative structure-activity relationship (QSAR) study was conducted for the prediction of inhibitory activity of 1-phenyl[2H]-tetrahydro-triazine-3-one analogues as inhibitors of 5-Lipoxygenase. The inhibitory activities of the 1-phenyl[2H]-tetrahydro-triazine-3-one analogues modeled as a function of molecular structures using chemometrics methods such as multiple linear regression (MLR) ...
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عنوان ژورنال:
iranian journal of mathematical chemistryناشر: university of kashan
ISSN 2228-6489
دوره 7
شماره 1 2016
میزبانی شده توسط پلتفرم ابری doprax.com
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