THE VERTEX-CONNECTIVITY INDEX REVISITED

Citation
D. Amic et al., THE VERTEX-CONNECTIVITY INDEX REVISITED, Journal of chemical information and computer sciences, 38(5), 1998, pp. 819-822
Citations number
19
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
5
Year of publication
1998
Pages
819 - 822
Database
ISI
SICI code
0095-2338(1998)38:5<819:TVIR>2.0.ZU;2-O
Abstract
We report a search for optimum molecular descriptors based on the conn ectivity index. A suggestion made by several authors that the exponent -0.5 used in the standard formula for computing the connectivity inde x may not be the optimum for modeling some molecular properties was re examined. We considered several molecular properties and found that in most cases the optimum value of the exponent is indeed different from -0.5. We suggest that a modified version of the (valence) vertex-conn ectivity index should be routinely employed in the structure-property modeling instead of the standard version of the index.