Informatics aided QSRR study of retention index of some volatile compounds
Journal Title: Eurasian Chemical Communications - Year 2019, Vol 1, Issue 0
Abstract
In the present work, an artificial neural network (ANN) model was used to study the quantitative structure retention relationship (QSRR) of retention index (RI) of some volatile compounds in natural cocoa and conched chocolate powder. Molecular structural descriptors are selected using genetic algorithm to construct the nonlinear QSRR models, kernel partial least squares PLS (KPLS) and Levenberg- Marquardt artificial neural network (L-M ANN) were employed.
Authors and Affiliations
Abbas Farmany
Keywords
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- EP ID EP658096
- DOI 10.33945/SAMI/ECC.2019.3.1
- Views 143
- Downloads 0
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