F. Alsaadi, Syed Ahtsham ul Haq Bokhary, Aqsa Shah, Usman Ali, Jinde Cao, M. Alassafi, M. U. Rehman, J. Rahman
{"title":"On Knowledge Discovery and Representations of Molecular Structures Using Topological Indices","authors":"F. Alsaadi, Syed Ahtsham ul Haq Bokhary, Aqsa Shah, Usman Ali, Jinde Cao, M. Alassafi, M. U. Rehman, J. Rahman","doi":"10.2478/jaiscr-2021-0002","DOIUrl":null,"url":null,"abstract":"Abstract The main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of the graph and remains constant under a graph automorphism. Topological indices play a wide role in the study of QSAR (quantitative structure-activity relationship) and QSPR (quantitative structure-property relationship). Topological indices are implemented to judge the bioactivity of chemical compounds. In this article, we compute the ABC (atom-bond connectivity); ABC4 (fourth version of ABC), GA (geometric arithmetic) and GA5 (fifth version of GA) indices of some networks sheet. These networks include: octonano window sheet; equilateral triangular tetra sheet; rectangular sheet; and rectangular tetra sheet networks.","PeriodicalId":48494,"journal":{"name":"Journal of Artificial Intelligence and Soft Computing Research","volume":"11 1","pages":"21 - 32"},"PeriodicalIF":3.3000,"publicationDate":"2020-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Artificial Intelligence and Soft Computing Research","FirstCategoryId":"94","ListUrlMain":"https://doi.org/10.2478/jaiscr-2021-0002","RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE","Score":null,"Total":0}
引用次数: 4
Abstract
Abstract The main purpose of a topological index is to encode a chemical structure by a number. A topological index is a graph invariant, which decribes the topology of the graph and remains constant under a graph automorphism. Topological indices play a wide role in the study of QSAR (quantitative structure-activity relationship) and QSPR (quantitative structure-property relationship). Topological indices are implemented to judge the bioactivity of chemical compounds. In this article, we compute the ABC (atom-bond connectivity); ABC4 (fourth version of ABC), GA (geometric arithmetic) and GA5 (fifth version of GA) indices of some networks sheet. These networks include: octonano window sheet; equilateral triangular tetra sheet; rectangular sheet; and rectangular tetra sheet networks.
期刊介绍:
Journal of Artificial Intelligence and Soft Computing Research (available also at Sciendo (De Gruyter)) is a dynamically developing international journal focused on the latest scientific results and methods constituting traditional artificial intelligence methods and soft computing techniques. Our goal is to bring together scientists representing both approaches and various research communities.