Determination of Parachor of Various Compounds Using an Artificial Neural Network-Group Contribution Method

作者：Gharagheizi Farhad; Eslamimanesh Ali; Mohammadi Amir H^*; Richon Dominique

来源：Industrial & Engineering Chemistry Research, 2011, 50(9): 5815-5823.

DOI：10.1021/ie102464t

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, R-2 = 0.997.

• 出版日期2011-5-4