Chemical applicability of Sombor indices

Abstract

Recently a novel class of degree-based topological molecular descriptors was proposed, the so-called Sombor indices. Within this study, the predictive and discriminative potentials of Sombor index, reduced Sombor index, and average Sombor index were examined. All three topological molecular descriptors showed good predictive potential. Statistical data indicate that the reduced Sombor index preforms with slightly better predictive potential. An external validation confirms this finding. It was found that these degree-based indices exert modest discriminative potential, when tested on a large group of isomers.

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

“…Recently, Gutman introduces a family of Sombor indices in the chemical graph theory [2]. It was examined in [3] that the Sombor index, reduced Sombor index and average Sombor index showed satisfactory predictive and discriminative potential in modeling entropy and enthalpy of vaporization of alkanes. The results of testing predictive potential of Sombor indices indicate that these descriptors may be successfully applied on modeling thermodynamic properties of compounds.…”

“…Das, Cevik, Cangul and Shang presented lower and upper bounds on the Sombor index of graphs by using some graph parameters and obtain several relations on Sombor index with the first and second Zagreb indices of graphs [7]. More results of Sombor indices can be found in [2,3,[8][9][10][11][12][13][14][15][16][17]37]. In Section 2, we study the expected values of the Sombor indices in the random hexagonal chains and random phenylene chains, and make a comparison between the expected values.…”

The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

“…Cruz, Gutman and Rada characterized the extremal graphs of the chemical graphs, chemical trees and hexagon systems with respect to Sombor index (( 2021)). In (2021), the Sombor index of polymer graphs which can be decomposed into monomer units was consider. In (R. Cruz & bicyclic graphs, 2021), the extremal values of the Sombor index in unicyclic and bicyclic graphs were studied.…”

“…In (R. Cruz & bicyclic graphs, 2021), the extremal values of the Sombor index in unicyclic and bicyclic graphs were studied. Das, Cevik, Cangul and Shang presented lower and upper bounds on the Sombor index of graphs by using some graph parameters and obtain several relations on Sombor index with the first and second Zagreb indices of graphs (( 2021 2021). In Section , we study the expected values of the Sombor indices in the random hexagonal chains and random phenylene chains, and make a comparison between the expected values.…”

Dharwad Indices

“…Recently, some Sombor indices were studied, for example, in [3,4,5,6,7,8,9,10,11,12,13]. Motivated by the definition of Sombor index and its applications, we now introduce the Dharwad index as follows:…”