On degree-based topological indices of symmetric chemical structures

Abstract

A Topological index also known as connectivity index is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randić, atom-bond connectivity (ABC) and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study HDCN1(m, n) and HDCN2(m, n) of dimension m, n and derive analytical closed results of general Randić index Rα(G) for different values of a. We also compute the general first Zagreb, ABC, GA, ABC4 and GA5 indices for these Hex derived cage networks for the first time and give closed formulas of these degree-based indices.