نویسندگان
1 گروه شیمی، دانشگاه آزاد اسلامی، واحد شاهرود، شاهرود، ایران
2 دانشکده شیمی، دانشگاه تهران، تهران، ایران
3 گروه شیمی، دانشگاه آزاد اسلامی، واحد علیآباد کتول، علیآباد کتول، ایران
چکیده
کلیدواژهها
عنوان مقاله [English]
نویسندگان [English]
Quantitative structure-activity relationship (QSAR) study for prediction of medicinal activity of pyrazole derivatives is developed using structural descriptors and multiple linear regression (MLR) method. Molecular descriptors are selected by genetic algorithm. Then a simple, strong, descriptive and interpretable model with low error and high correlation coefficient is construct. The results illustrated that the linear techniques such as MLR combined with a successful variable selection procedure are capable to generate an efficient QSAR model for predicting the activity of different compounds. This model was used for the prediction of activity values of some medicinal compounds which were not used in the modeling procedure.
کلیدواژهها [English]
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