Document Detail

Esters flash point prediction using artificial neural networks.
MedLine Citation:
PMID:  23018601     Owner:  NLM     Status:  Publisher    
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). © 2012 Wiley Periodicals, Inc.
Gonzalo Astray; Juan F Gálvez; Juan C Mejuto; Oscar A Moldes; Iago Montoya
Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-9-28
Journal Detail:
Title:  Journal of computational chemistry     Volume:  -     ISSN:  1096-987X     ISO Abbreviation:  J Comput Chem     Publication Date:  2012 Sep 
Date Detail:
Created Date:  2012-9-28     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9878362     Medline TA:  J Comput Chem     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Copyright Information:
Copyright © 2012 Wiley Periodicals, Inc.
Department of Physical Chemistry, Faculty of Sciences, University of Vigo, 32004 Ourense, Spain.
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