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On molecular topological properties of hex‐derived networks
Author(s) -
Imran Muhammad,
Baig Abdul Qudair,
Ali Haidar
Publication year - 2016
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.2785
Subject(s) - topological index , topology (electrical circuits) , graph , invariant (physics) , molecular graph , dimension (graph theory) , hexagonal crystal system , mathematics , graph theory , degree (music) , atom (system on chip) , discrete mathematics , combinatorics , computer science , chemistry , physics , crystallography , acoustics , mathematical physics , embedded system
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.