M. Randic et al., THE CHARACTERISTICS POLYNOMIAL AS A STRUCTURE DISCRIMINATOR, Journal of chemical information and computer sciences, 37(6), 1997, pp. 1072-1077
Citations number
27
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
We investigate use of the characteristic polynomial for discrimination
of graphs. Here we consider acyclic graphs (trees) only, and in parti
cular we consider trees without bridging vertices because no isospectr
al trees in which both graphs are without bridging vertices have been
hitherto reported. However, we found the smallest such isospectral fre
es when n = 15. When the maximal valence is limited to four, so that g
raphs correspond to molecules of organic chemistry, the smallest isosp
ectral (nonbridging) trees have n = 19 vertices. The smallest pair of
isospectral binary trees were found among trees having n = 26 vertices
. By combining contraction of trees to proper trees (i.e., trees witho
ut bridging vertices) and subsequent pruning of proper trees one can i
n many cases determine if two trees are isomorphic or not from compari
son of their characteristic polynomials.