COMPARISON BETWEEN THE VERTEX-CONNECTIVITY AND EDGE-CONNECTIVITY INDEXES FOR BENZENOID HYDROCARBONS

Citation
S. Nikolic et al., COMPARISON BETWEEN THE VERTEX-CONNECTIVITY AND EDGE-CONNECTIVITY INDEXES FOR BENZENOID HYDROCARBONS, Journal of chemical information and computer sciences, 38(1), 1998, pp. 42-46
Citations number
16
Categorie Soggetti
Computer Science Interdisciplinary Applications","Computer Science Information Systems","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
38
Issue
1
Year of publication
1998
Pages
42 - 46
Database
ISI
SICI code
0095-2338(1998)38:1<42:CBTVAE>2.0.ZU;2-G
Abstract
In this report we studied the relationship between the vertex-and edge -connectivity indices, and the relationship of both these indices and the st-electron energies for benzenoid hydrocarbons. We also presented the use of edge-connectivity indices in the structure-boiling point m odeling for benzenoid hydrocarbons. The obtained structure-boiling poi nt models are compared with the models based on the vertex-connectivit y indices and the distance-dependent molecular descriptors. The best s tructure-boiling point model for benzenoids achieved here is the quadr atic model based on the edge-connectivity indices whose statistical ch aracteristics are comparable to the best model from the literature; th at is, Randic's model based on the multivariate regression analysis wi th the first-, second-, third-, and fourth-order geometric distance in dices.