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Correction published on 24 February 2009, see Int. J. Mol. Sci. 2009, 10(2), 723.

Open AccessArticle
Int. J. Mol. Sci. 2007, 8(5), 407-432;

Prediction of Standard Enthalpy of Formation by a QSPR Model

Department of Chemical Engineering, Faculty of Engineering, University of Tehran, P.O.Box: 11365-4563, Tehran, Iran
Author to whom correspondence should be addressed.
Received: 1 March 2007 / Accepted: 27 March 2007 / Published: 22 May 2007
(This article belongs to the Section Physical Chemistry, Theoretical and Computational Chemistry)
Full-Text   |   PDF [161 KB, uploaded 19 June 2014]


The standard enthalpy of formation of 1115 compounds from all chemicalgroups, were predicted using genetic algorithm-based multivariate linear regression (GA-MLR). The obtained multivariate linear five descriptors model by GA-MLR has correlationcoefficient ( R 2 = 0.9830 ). All molecular descriptors which have entered in this model arecalculated from chemical structure of any molecule. As a result, application of this modelfor any compound is easy and accurate. View Full-Text
Keywords: QSPR; Enthalpy of formation; GA-MLR. QSPR; Enthalpy of formation; GA-MLR.
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Vatani, A.; Mehrpooya, M.; Gharagheizi, F. Prediction of Standard Enthalpy of Formation by a QSPR Model. Int. J. Mol. Sci. 2007, 8, 407-432.

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