Prediction of triple-point temperature of pure components using their Chemical Structures / Farhad Gharagheizi in Industrial & engineering chemistry research, Vol. 49 N° 2 (Janvier 2010)  

Prediction of triple-point temperature of pure components using their Chemical Structures [texte imprimé] / Farhad Gharagheizi, Auteur ; Sattari, Mehdi, Auteur . - 2010 . - pp 929–932.
Chimie industrielle
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 49 N° 2 (Janvier 2010) . - pp 929–932

Mots-clés :	Triple-point temperature Chemical structures.
Résumé :	A quantitative structure property relationship study was performed to develop a model for the prediction of triple-point temperature of pure components. For developing this model, 638 pure components were used, and, for whichever, 1664 molecular descriptors were determined. As a standard tool for subset variable selection, genetic algorithm-based multivariate linear regression (GA-MLR) technique was used. The obtained model is a seven parameters multilinear equation that has a squared correlation coefficient of 0.9410 (R2 = 0.9410).
DEWEY :	660
ISSN :	0888-5885
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie901029m