Esters flash point prediction using artificial neural networks
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Gonzalo Astray1, Juan F Gálvez, Juan C Mejuto
1Department of Physical Chemistry, Faculty of Sciences, University of Vigo, 32004 Ourense, Spain.
Journal of Computational Chemistry
|September 29, 2012
Abstract:
In this article, an artificial neural network to predict the flash point of 95 esters was implemented. Four variables were used for its development. A neural network with 4-5-8-5-1 topology was encountered to gain the best agreement of the experimental results with those predicted (square correlation coefficient (R(2)) and root mean square error were 0.99 and 5.46 K for the training phase and 0.96 and 13.02 K for the testing set).