Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure−Property Relationship Treatment
ALAN ROY KATRITZKY, Peter Rachwal, Kam Wah Law, Mati M. Karelson, Victor S. Lobanov · Journal of Chemical Information and Computer Sciences · 1996
A novel approach to the prediction of the physical properties of polymers is presented. A QSPR study, involving the use of a newly developed statistical package, CODESSA, is described for the T g of a set of 22 low molecular weight polymers which gave a four-parameter equation with R 2 = 0.928. The physical significance of the descriptors selected is discussed.