Article ID Journal Published Year Pages File Type
7684753 Talanta 2012 9 Pages PDF
Abstract
► We computed descriptors of the azoles using the MOPAC/AM1 method. ► Highly correlated descriptors were excluded from further modeling. ► We employed fractional factorial design in order to select the most influential HPLC factors, which were included in the QSRR model. ► QSRR was established using artificial neural networks. ► We achieved high agreement between calculated and experimentally obtained retention factors.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
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