DISTANCE DISTANCE MATRICES

Authors
RANDIC M KLEINER AF DEALBA LM
Citation
M. Randic et al., DISTANCE DISTANCE MATRICES, Journal of chemical information and computer sciences, 34(2), 1994, pp. 277-286
Citations number
61
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
34
Issue
2
Year of publication
1994
Pages
277 - 286
Database
ISI
SICI code
0095-2338(1994)34:2<277:DDM>2.0.ZU;2-Y
Abstract
We introduce novel matrices for graphs embedded on two- and three-dime nsional grids. The matrices are defined in terms of geometrical and to pological distances in such graphs. We report on some properties of th ese distance/distance matrices and have listed several structural inva riants derived from distance/distance matrices. The normalized Perron root (the first eigenvalue) of such matrices, lambda/n, for path graph s apparently is an index of molecular folding. The ratio phi = lambda/ n is 1 for (geometrically) linear structures, while it approaches 0 as the path graph is repeatedly folded.