Structural Analysis and Topological Characterization of Sudoku Nanosheet

Abstract

The physical and biological properties of chemical compounds are modelled using chemical graph theory. The geometric structure of chemical compounds can be modelled using a variety of topological indices derived from graph theory. The chemical structures, physicochemical characteristics, and biological activities are predicted by the topological indices using the real numbers derived from the molecular compound. The topological index’s first use was to identify the physical characteristics of alkenes. A topological index is a molecular structure descriptor calculated from a chemical compound’s molecular graph describing its topology. When applied to a chemical compound’s molecular structure, it tells the theoretical properties. The chemical structure is studied as a graph, where elements are denoted as vertices, and chemical bonds are called edges. In this study, we have computed some novel topological indices named as modified neighborhood version of the forgotten topological index F N ∗ , the neighborhood version of the first multiplicative Zagreb M 1 ∗ , the neighborhood version of the second Zagreb index M 2 ∗ , the neighborhood version of hyper-Zagreb index HM N , the Sambor topological index SO G , and the Sambor reduced topological index SO red G for the Sudoku nanosheet and derived formulas for them. Based on the derived formulas, the numerical results of the understudy nanosheet’s physical and chemical properties are investigated. Our computed results are undoubtedly helpful in understanding the topology of the understudy nanosheet. These computed indices have the best correlation with acentric factor and entropy; therefore, they are effective in QSPRs and QSARs analysis with complete accuracy.

Comparative analysis of modified reverse degree topological indices for certain carbon nanosheets using entropy measures and multi criteria decision‐making analysis

“…However, for every specific topological index, we can readily compute the reverse degree-related entropy using the approach outlined previously. In recent research papers, comparative analysis was undertaken, focusing a range of nanostructures, including hydrocarbons, graphene, graphyne, graphdiyne, γ-graphyne, Zigzag graphyne nanoribbons, various types of C 4 C 8 nanosheets, kekulene structures, carbon nanotubes and metal-organic networks [39][40][41][42][43][44][45][46]. This analysis examined these structures in the context of degree indices and degree-based entropy measures to validate their efficiency and to offer valuable insights for potential structural enhancements.…”

Curcumin-Conjugated PAMAM Dendrimers of Two Generations: Comparative Analysis of Physiochemical Properties Using Adriatic Topological Indices

“…One popular method in the ligand-based drug design process is quantitative structure–activity relationship/quantitative structure–property relationship (QSAR/QSPR). This is used to predict and optimize current leads and enhance their biological activities and physiochemical characteristics of untested and unavailable substances. − Three kinds of dendrimer networks, biconjugate networks, nanostructures of cerium oxide, and Sudoku nanosheets, are analyzed using topological indices (TIs).…”

Zagreb connection topological descriptors and structural property of the triangular chain structures

“…These indices are often used to represent the physiochemical properties of chemical compounds in quantitative structure-property relationships QSPR ( ) and quantitative structureactivity relationships QSAR ( ) research. One might consult references [7][8][9][10][11][12][13][14][15][16] for more information on topological characterization of micro and nanostructures, and topological indices. A topological index based on molecular graph degrees is a collection of indices used to identify and model chemical compound features.…”