کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9918822 | 1557559 | 2005 | 21 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
QSPR modeling of pseudoternary microemulsions formulated employing lecithin surfactants: Application of data mining, molecular and statistical modeling
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
علوم پزشکی و سلامت
داروسازی، سم شناسی و علوم دارویی
علوم دارویی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: QSPR modeling of pseudoternary microemulsions formulated employing lecithin surfactants: Application of data mining, molecular and statistical modeling QSPR modeling of pseudoternary microemulsions formulated employing lecithin surfactants: Application of data mining, molecular and statistical modeling](/preview/png/9918822.png)
چکیده انگلیسی
Data mining, computer aided molecular modeling, descriptor calculation, genetic algorithm and multiple linear regression analysis techniques were combined together to generate predictive quantitative structure property relationship (QSPR) models explaining the formation of lecithin-based W/O microemulsions. Ninety-four microemulsion phase diagrams were collected from five different references published over the past few years. Computer-based molecular modeling techniques were then applied on the components of the collected microemulsion systems to generate corresponding plausible three-dimensional (3D) structures. The resulting 3D models were utilized to calculate a group of molecular physicochemical descriptors. Thereafter, genetic algorithm and backward stepwise regression analysis were separately assessed as means for selecting optimal descriptor sets for statistical modeling. The selected descriptors were correlated with microemulsion existence areas employing multiple linear regression analysis. The resulting W/O models were statistically validated and found to be of significant predictive power. The models allowed better understanding of the process of microemulsion formation. Unfortunately, all QSPR modeling efforts directed towards O/W microemulsions failed completely.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Pharmaceutics - Volume 295, Issues 1â2, 13 May 2005, Pages 135-155
Journal: International Journal of Pharmaceutics - Volume 295, Issues 1â2, 13 May 2005, Pages 135-155
نویسندگان
Mutasem O. Taha, Heba Abdel-Halim, Mutasim Al-Ghazawi, Enam Khalil,