Estimation of aniline point temperature of pure hydrocarbons / Farhad Gharagheizi in Industrial & engineering chemistry research, Vol. 48 N°3 (Février 2009)  

Estimation of aniline point temperature of pure hydrocarbons : a quantitative structure-property relationship approach [texte imprimé] / Farhad Gharagheizi, Auteur ; Behnam Tirandazi, Auteur ; Reza Barzin, Auteur . - 2009 . - p. 1678–1682.
Chemical engineering
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 48 N°3 (Février 2009) . - p. 1678–1682

Mots-clés :	Aniline Hydrocarbons Structure -- quantitative study Material physicochemical properties
Résumé :	In the present work, a quantitative structure-property relationship (QSPR) study is performed to predict the aniline point temperature of pure hydrocarbon components. As a powerful tool, genetic algorithm-based multivariate linear regression (GA-MLR) is applied to select most statistically effective molecular descriptors on the aniline point temperature of pure hydrocarbon components. Also, a three-layer feed forward neural network (FFNN) is constructed to consider the nonlinear behavior of appearing molecular descriptors in GA-MLR result. The obtained results show that the constructed FFNN can accurately predict the aniline point temperature of pure hydrocarbon components.
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie801212a