Expected Values of Molecular Descriptors in Random Polyphenyl Chains

Abstract

A chemical graph is a model used to indicate a chemical combination. In a molecular graph, vertices define atoms, and edges are represented as chemical bonds. A topological index is a single number to characterize the graph of a molecule. In this article, we study the topological properties of some special chains. The polyphenyl chains with hexagons are graphs of aromatic organic compounds. The key purpose of this article is to explore the expected value of Sombor, reduced Sombor, and average Sombor index for this category of organic compounds. It was investigated that the Sombor, reduced Sombor and average Sombor index revealed adequate discriminative potential of alkanes. It has been tested that these indicators can be used effectively in modeling chemical thermodynamic structures. The average value of the Sombor, reduced Sombor, and average Sombor index for the set of all spiro and random polyphenyl chains has been determined. Finally, the ratio between the expected values of these mentioned indices for both random chains has been resolved. Doi: 10.28991/ESJ-2022-06-01-012 Full Text: PDF

Expected value of first Zagreb connection index in random cyclooctatetraene chain, random polyphenyls chain, and random chain network

“…Recently, many studies have explored the expected values of different topological indices. For further information, we refer readers to the following studies ( Raza, 2020b ; Fang et al, 2021 ; Raza, 2021 ; Jahanbanni, 2022 ; Raza et al, 2022 ).…”

On Computing Techniques for Sombor Index of Some Graphs

“…By getting results from eorems 1-3, we will make the comparison [10] between the values of Sombor, reduced Sombor, and average Sombor indices of a wheel graph. Table 1 and Figure 2 represent the numerical and graphical comparison of the three indices.…”

“…By getting results from eorems 7-9, we are able to make the comparison [10] between the values of Sombor, reduced Sombor, and average Sombor indices of a helm graph. e numerical and graphical representation of indices is given in Table 3 and Figure 6, respectively.…”

“…Theorem 15. Let Sf n be a sunflower graph of order 3n + 1. en, the average index of Sf n is By getting results from eorems 13-15, we are able to develop the comparison between the values of Sombor, reduced Sombor, and average Sombor indices [10] of a sunflower graph. e numerical and graphical representation of indices is given in Table 5 and Figure 10, respectively.…”

Weighted Mostar invariants of chemical compounds: An analysis of structural stability

“…The research of computation and assessment of topological indices of molecular structures was driven with particular prominence in nanotechnology and mathematical chemistry. Readers are directed to references [3] , [4] , [7] , [15] , [17] , [18] , [30] , [29] for a more in-depth details on this subject.…”