On the application of line graphs in quantitative structure-property studies

Abstract

Let G be a molecular graph possessing m0(G) edges. Let m1(G) be the number of edges of the line graph L(G) of G, known as the Bertz index. Let m2(G) be the number of edges of the line graph of L(G), etc. We examine the applicability of the sequence mi(G), i = 0,1,2, ..., for predicting physicochemical properties of alkanes. Some earlier obtained results are extended and amended.

Keywords

• line graph
• bertz index
• qspr
• qsar