MOLECULAR TOPOLOGY .17. LAYER MATRICES OF WALK DEGREES

Authors
DIUDEA MV TOPAN M GRAOVAC A
Citation
Mv. Diudea et al., MOLECULAR TOPOLOGY .17. LAYER MATRICES OF WALK DEGREES, Journal of chemical information and computer sciences, 34(5), 1994, pp. 1072-1078
Citations number
30
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
5
Year of publication
1994
Pages
1072 - 1078
Database
ISI
SICI code
0095-2338(1994)34:5<1072:MT.LMO>2.0.ZU;2-#
Abstract
Layer matrices of walk degrees, LW((e)) of various elongation (e), pro posed by Diudea,(1) are further exploited. Walk degrees (e.g., atomic walk counts), w(i)((e)), are calculated by a simple summation procedur e (analogous with the Morgan's algorithm(2)) iterated on the adjacency /connectivity matrix and next weighted by an electronegativity factor. Formulas for counting walk degrees in some particular graphs are give n. The matrices LW((e)) are used as a ground for building a centric to pological index, C(LW((e))) and for investigating the topological symm etry in some sets of molecular graphs. A computer program TOP-W for ca lculating walk degrees and layer matrices LW((e)) is also presented.