On the use of iterated line graphs in quantitative structure-property studies

Abstract

For a molecular graph G, the iterated line graph sequence is L i (G), i = 0, 1, 2 . . . . where L 0 (G) ≡ G and L i (G) is the line graph of L i-I (G), i = 1, 2 . . . . . We determine some basic properties of this sequence and examine the possibility to use it in quantitative structure-property studies. In particular, we examine the dependency of certain physico-chemical properties of alkanes (boiling point, molar volume, molar refraction, heat of vapourization, critical temperature, critical pressure and surface tension) on the Bertz indices of L i (G)