%0 Journal Article %T Informatics aided QSRR study of retention index of some volatile compounds %J Eurasian Chemical Communications %I Sami Publishing Company (SPC) %Z 2717-0535 %A Farmany, Abbas %D 2019 %\ 05/01/2019 %V 1 %N 3 %P 242-247 %! Informatics aided QSRR study of retention index of some volatile compounds %K volatile compounds %K QSRR %K Levenberg-Marquardt artificial neural network %R 10.33945/SAMI/ECC.2019.3.1 %X 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. %U https://www.echemcom.com/article_92287_d39767cdd7068bc62fcc45c62db24a05.pdf