Wenhu Wang^1,2,3, Hibba Arshad⁴, Asfand Fahad^4,*, Imran Javaid⁴

CMES-Computer Modeling in Engineering & Sciences, Vol.135, No.2, pp. 1685-1699, 2023, DOI:10.32604/cmes.2022.023563 - 27 October 2022

Abstract One of the most recent developments in the field of graph theory is the analysis of networks such as Butterfly networks, Benes networks, Interconnection networks, and David-derived networks using graph theoretic parameters. The topological indices (TIs) have been widely used as graph invariants among various graph theoretic tools. Quantitative structure activity relationships (QSAR) and quantitative structure property relationships (QSPR) need the use of TIs. Different structure-based parameters, such as the degree and distance of vertices in graphs, contribute to the determination of the values of TIs. Among other recently introduced novelties, the classes of ev-degree and More >

Jung Rye Lee¹, Aftab Hussain², Asfand Fahad³, Ali Raza³, Muhammad Imran Qureshi^3,*, Abid Mahboob⁴, Choonkil Park⁵

CMES-Computer Modeling in Engineering & Sciences, Vol.130, No.2, pp. 871-885, 2022, DOI:10.32604/cmes.2022.016836 - 13 December 2021

Abstract In quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies, computation of topological indices is a vital tool to predict biochemical and physio-chemical properties of chemical structures. Numerous topological indices have been inaugurated to describe different topological features. The ev and ve-degree are recently introduced novelties, having stronger prediction ability. In this article, we derive formulae of the ev-degree and ve-degree based topological indices for chemical structure of Si₂C₃ − I[a,b]. More >