1403/01/10
محمد حسین فاطمی

محمد حسین فاطمی

مرتبه علمی: استاد
ارکید:
تحصیلات: دکترای تخصصی
اسکاپوس:
دانشکده: دانشکده شیمی
نشانی:
تلفن: 01135342931

مشخصات پژوهش

عنوان
In silico prediction of cutaneous penetration rate of some chemicals from their molecular structural descriptors
نوع پژوهش
مقاله چاپ شده
کلیدواژه‌ها
Quantitative structure–activity relationship · Dermal penetration · Artificial neural network
سال 1398
مجله Journal of the Iranian Chemical Society
شناسه DOI
پژوهشگران سیده مژگان بهگزین ، محمد حسین فاطمی

چکیده

The cutaneous penetration rate of some hormones and organic solvents to the stratum corneum was modeled and estimated by using interpretable molecular descriptors. To develop quantitative structure–activity relationship (QSAR) models, the methods of multiple linear regression and artificial neural network were used. The results of this study indicated the ability of the developed QSAR models in the prediction of the dermal penetration rate of various chemicals from their calculated molecular descriptors.