화학공학소재연구정보센터
Thermochimica Acta, Vol.469, No.1-2, 8-11, 2008
A new molecular-based model for prediction of enthalpy of sublimation of pure components
A quantitative structure property relationship (QSPR) study was performed to develop a model for prediction of enthalpy of sublimation of pure components. For developing this model, 1348 pure components were used, and for each of them, 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 five-parameter multi-linear equation that has a squared correlation coefficient of 0.9746 (R-2 = 0.9746). (C) 2007 Elsevier B.V. All rights reserved.