PREDICTION OF POLYMER GLASS-TRANSITION TEMPERATURES USING A GENERAL QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP TREATMENT

Authors
KATRITZKY AR RACHWAL P LAW KW KARELSON M LOBANOV VS
Citation
Ar. Katritzky et al., PREDICTION OF POLYMER GLASS-TRANSITION TEMPERATURES USING A GENERAL QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP TREATMENT, Journal of chemical information and computer sciences, 36(4), 1996, pp. 879-884
Citations number
51
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
Journal title
Journal of chemical information and computer sciences → ACNP
ISSN journal
00952338
Volume
36
Issue
4
Year of publication
1996
Pages
879 - 884
Database
ISI
SICI code
0095-2338(1996)36:4<879:POPGTU>2.0.ZU;2-L
Abstract
A novel approach to the prediction of the physical properties of polym ers is presented. A QSPR study, involving the use of a newly developed statistical package, CODESSA, is described for che T-g of a set of 22 low molecular weight polymers which gave a four-parameter equation wi th R(2) = 0.928. The physical significance of the descriptors selected is discussed.