NEW TOPOLOGICAL INDEX AND PREDICTION OF PHASE-TRANSFER ENERGY FOR PROTONATED AMINES AND TETRAALKYLAMINES IONS

Authors
XU L YAO YY WANG HM
Citation
L. Xu et al., NEW TOPOLOGICAL INDEX AND PREDICTION OF PHASE-TRANSFER ENERGY FOR PROTONATED AMINES AND TETRAALKYLAMINES IONS, Journal of chemical information and computer sciences, 35(1), 1995, pp. 45-49
Citations number
17
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
35
Issue
1
Year of publication
1995
Pages
45 - 49
Database
ISI
SICI code
0095-2338(1995)35:1<45:NTIAPO>2.0.ZU;2-Q
Abstract
The applications of new topological indices A(x1)-A(x3) suggested in o ur laboratory for the prediction of Gibbs energy values of phase trans fer (water to nitrobenzene) of amine ions are described with satisfact ory results. Multiple regression analysis and neural network were empl oyed simultaneously in this study.