Correlation of line graph parameters with physicochemical properties of octane isomers

Authors
Kuanar, M Kuanar, SK Mishra, BK Gutman, I
Citation
M. Kuanar et al., Correlation of line graph parameters with physicochemical properties of octane isomers, I J CHEM A, 38(6), 1999, pp. 525-528
Citations number
13
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
03764710 → ACNP
Volume
38
Issue
6
Year of publication
1999
Pages
525 - 528
Database
ISI
SICI code
0376-4710(199906)38:6<525:COLGPW>2.0.ZU;2-L
Abstract
Line graphs and their derivatives are constructed for hydrogen-depleted str uctural graphs of octane isomers, and respective topological indices, theta (i), are derived. The parameters obtained from first to fourth derivatives of the line graphs are used in obtaining quantitative structure-property re lationships using several physicochemical properties of 18 octane isomers. The regression analysis indicates that theta(4) indices have the best discr iminating ability for these compounds.