کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1169598 960642 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Review on modelling aspects in reversed-phase liquid chromatographic quantitative structure–retention relationships
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Review on modelling aspects in reversed-phase liquid chromatographic quantitative structure–retention relationships
چکیده انگلیسی

In the literature an increasing interest in quantitative structure–retention relationships (QSRR) can be observed. After a short introduction on QSRR and other strategies proposed to deal with the starting point selection problem prior to method development in reversed-phase liquid chromatography, a number of interesting papers is reviewed, dealing with QSRR models for reversed-phase liquid chromatography. The main focus in this review paper is put on the different modelling methodologies applied and the molecular descriptors used in the QSRR approaches. Besides two semi-quantitative approaches (i.e. principal component analysis, and decision trees), these methodologies include artificial neural networks, partial least squares, uninformative variable elimination partial least squares, stochastic gradient boosting for tree-based models, random forests, genetic algorithms, multivariate adaptive regression splines, and two-step multivariate adaptive regression splines.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Analytica Chimica Acta - Volume 602, Issue 2, 29 October 2007, Pages 164–172
نویسندگان
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