کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1209199 1493756 2007 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Evaluation of chromatographic descriptors for the prediction of gastro-intestinal absorption of drugs
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Evaluation of chromatographic descriptors for the prediction of gastro-intestinal absorption of drugs
چکیده انگلیسی

The use of chromatographic descriptors in QSAR was evaluated. Therefore, retentions were measured on an immobilized artificial membrane system, 2 micellar liquid chromatography systems and 17 orthogonal or disimilar reversed-phase liquid chromatographic systems. It was investigated whether it was possible to model gastro-intestinal absorption as a function of chromatographic retentions applying two linear and one non-linear multivariate modeling technique. In a second step it was evaluated if models built with theoretical descriptors could be improved by adding the measured retention factors to the data set of descriptive variables. It was seen that gastro-intestinal absorption could be modelled in function of chromatographic retention using the non-linear modeling technique multivariate adaptive regression splines (MARS). The best models were obtained using a combination of theoretical and chromatographic descriptors with MARS as modeling technique.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1138, Issues 1–2, 5 January 2007, Pages 190–202
نویسندگان
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