{"title":"The Sombor Index and Coindex of Chemical Graphs","authors":"Zenan Du , Lihua You , Hechao Liu , Yufei Huang","doi":"10.1080/10406638.2023.2225683","DOIUrl":null,"url":null,"abstract":"<div><p>Topological index plays an important role in the derivation of structural characteristics of compounds, drug discovery and organic synthetic chemistry. In this paper, we study the Sombor indices of some chemical graphs such as polyamidoamine, phthalocyanine, graphene, coronoid systems, carbon nanocones and four random chains. The correlation coefficient and linear regression analysis of the Sombor indices with some physicochemical properties of benzenoid hydrocarbons are discussed, and we find that the enthalpy of vaporization, flash point and molar refractivity are strongly correlated with the Sombor indices.</p></div>","PeriodicalId":20303,"journal":{"name":"Polycyclic Aromatic Compounds","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2024-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polycyclic Aromatic Compounds","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S1040663823018584","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ORGANIC","Score":null,"Total":0}
引用次数: 0
Abstract
Topological index plays an important role in the derivation of structural characteristics of compounds, drug discovery and organic synthetic chemistry. In this paper, we study the Sombor indices of some chemical graphs such as polyamidoamine, phthalocyanine, graphene, coronoid systems, carbon nanocones and four random chains. The correlation coefficient and linear regression analysis of the Sombor indices with some physicochemical properties of benzenoid hydrocarbons are discussed, and we find that the enthalpy of vaporization, flash point and molar refractivity are strongly correlated with the Sombor indices.
期刊介绍:
The purpose of Polycyclic Aromatic Compounds is to provide an international and interdisciplinary forum for all aspects of research related to polycyclic aromatic compounds (PAC). Topics range from fundamental research in chemistry (including synthetic and theoretical chemistry) and physics (including astrophysics), as well as thermodynamics, spectroscopy, analytical methods, and biology to applied studies in environmental science, biochemistry, toxicology, and industry. Polycyclic Aromatic Compounds has an outstanding Editorial Board and offers a rapid and efficient peer review process, as well as a flexible open access policy.