{"title":"Trees with Extremal Values of the Sombor-Index-Like Graph Invariants","authors":"Zikai Tang, Qiyue Li, H. Deng","doi":"10.46793/match.90-1.203t","DOIUrl":null,"url":null,"abstract":"Anew geometric background of graph invariants was introduced by Gutman, using the triangle formed by the degree-point, dualdegree-point, and the origin of the coordinate system, a number of new Sombor-index-like VDB invariants, denoted by SO1,SO2,..., SO6, were constructed by means of geometric arguments. In this paper, the chemical applicability of these Sombor-index-like graph invariants is investigated, and it is shown that almost all of these six indices are useful in predicting physicochemical properties with high accuracy compared to some well-established and often used indices. Also, we obtain a bound for some of the Sombor-index-like graph invariants among all (molecular) trees with fixed numbers of vertices, and characterize those (molecular) trees achieving the extremal value.","PeriodicalId":51115,"journal":{"name":"Match-Communications in Mathematical and in Computer Chemistry","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Match-Communications in Mathematical and in Computer Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.46793/match.90-1.203t","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 2
Abstract
Anew geometric background of graph invariants was introduced by Gutman, using the triangle formed by the degree-point, dualdegree-point, and the origin of the coordinate system, a number of new Sombor-index-like VDB invariants, denoted by SO1,SO2,..., SO6, were constructed by means of geometric arguments. In this paper, the chemical applicability of these Sombor-index-like graph invariants is investigated, and it is shown that almost all of these six indices are useful in predicting physicochemical properties with high accuracy compared to some well-established and often used indices. Also, we obtain a bound for some of the Sombor-index-like graph invariants among all (molecular) trees with fixed numbers of vertices, and characterize those (molecular) trees achieving the extremal value.
期刊介绍:
MATCH Communications in Mathematical and in Computer Chemistry publishes papers of original research as well as reviews on chemically important mathematical results and non-routine applications of mathematical techniques to chemical problems. A paper acceptable for publication must contain non-trivial mathematics or communicate non-routine computer-based procedures AND have a clear connection to chemistry. Papers are published without any processing or publication charge.