Informatics aided QSRR study of retention index of some volatile compounds
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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.
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Journal title
volume 7 issue Issue 3, pp. 242-351.
pages 242- 247
publication date 2019-07-01
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