MEASURING THE SIMILARITY OF SPECTRA OF MOLECULAR GRAPHS

Citation
I. Gutman et al., MEASURING THE SIMILARITY OF SPECTRA OF MOLECULAR GRAPHS, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 34(1), 1995, pp. 1-4
Citations number
7
Categorie Soggetti
Chemistry
ISSN journal
03764710
Volume
34
Issue
1
Year of publication
1995
Pages
1 - 4
Database
ISI
SICI code
0376-4710(1995)34:1<1:MTSOSO>2.0.ZU;2-3
Abstract
Three measures of the similarity of the spectra of molecular graphs ar e considered. Two of them are previously known: the ''almost-isospectr ality measure'', aim, and the ''angle of isomerization'', ais. We now introduce a third such quantity-the ''vectorial isospectrality measure '', vim. The previous definitions of aim and ais are modified so as to make them applicable to arbitrary pairs of molecular graphs with equa l number of vertices. We establish relations between aim, ais & vim, a nd point out some of their other properties.