Determination of parachor of various compounds using an artificial neural network-group contribution method / Farhad Gharagheizi in Industrial & engineering chemistry research, Vol. 50 N° 9 (Mai 2011)  

Determination of parachor of various compounds using an artificial neural network-group contribution method [texte imprimé] / Farhad Gharagheizi, Auteur ; Ali Eslamimanesh, Auteur ; Amir H. Mohammadi, Auteur . - 2011 . - pp. 5815-5823.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 50 N° 9 (Mai 2011) . - pp. 5815-5823

Mots-clés :	Group contribution method Neural network
Résumé :	In this communication, an Artificial Neural Network―Group Contribution algorithm is applied to represent/predict the parachor of pure chemical compounds. To propose a reliable and predictive tool, 227 pure chemical compounds are investigated. Using the developed method, we obtain satisfactory results that are quantified by the following statistical parameters: absolute average deviations of the represented/predicted parachor values from existing experimental ones, %AAD = 1.2%; and squared correlation coefficient, R2 = 0.997.
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://cat.inist.fr/?aModele=afficheN&cpsidt=24128707