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
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.