On molecular topological properties of hex‐derived networks

Topological indices are numerical parameters of a molecular graph, which characterize its topology and are usually graph invariant. In quantitative structure–activity relationship/quantitative structure–property relationship study, physico‐chemical properties and topological indices such as Randić, atom–bond connectivity ( A B C ), and geometric–arithmetic ( G A ) 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 hex‐derived networks H D N 1( n ) and H D N 2( n ), which are generated by hexagonal network of dimension n and derive analytical closed results of general Randić index R α ( G ) for different values of α , for these networks of dimension n . We also compute the general first Zagreb, ABC , GA , A B C 4 , and G A 5 indices for these hex‐derived networks for the first time and give closed formulae of these degree‐based indices for hex‐derived networks. Copyright © 2016 John Wiley & Sons, Ltd.