On atom-bond connectivity molecule structure descriptors

Abstract

The atom-bond connectivity index (ABC) is a degree-based molecular structure descriptor with well-documented chemical applications. In 2010, a distance-based new variant of this index (ABCGG ) was proposed. Hitherto, the relation between ABC and ABCGG has not been analyzed. In this paper, the basic characteristics of this relation are established. In particular, ABC and ABCGG are not correlated and both cases ABC > ABCGG and ABC < ABC GG may occur in the case of (structurally similar) molecules. However, in the case of benzenoid hydrocarbons, ABC always exceeds ABCGG .