Zeeshan Saleem Mufti, Ali Tabraiz, Muhammad Farhan Hanif, Mehr-un-Nisa
{"title":"Molecular insights into Tetracene through fuzzy topological indices in chemical graph theory","authors":"Zeeshan Saleem Mufti, Ali Tabraiz, Muhammad Farhan Hanif, Mehr-un-Nisa","doi":"10.1007/s11696-025-03979-9","DOIUrl":null,"url":null,"abstract":"<div><p>Topological indices have emerged as a vital tool in designing pharmacological compounds, offering a cost-effective alternative to biological testing. This study computes and analyzes the fuzzy topological indices of Tetracene, a polycyclic aromatic hydrocarbon. Specifically, we calculate the fuzzy Randic, fuzzy harmonic, fuzzy first Zagreb, and fuzzy second Zagreb indices of Tetracene’s chemical structure. A graphical analysis of our results reveals a positive correlation between the size of the graph and the values of these indices. Our findings contribute to the growing body of research on the application of topological indices in chemistry and pharmacology, highlighting their potential in streamlining the drug discovery process.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"79 5","pages":"2937 - 2953"},"PeriodicalIF":2.2000,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Papers","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11696-025-03979-9","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Engineering","Score":null,"Total":0}
引用次数: 0
Abstract
Topological indices have emerged as a vital tool in designing pharmacological compounds, offering a cost-effective alternative to biological testing. This study computes and analyzes the fuzzy topological indices of Tetracene, a polycyclic aromatic hydrocarbon. Specifically, we calculate the fuzzy Randic, fuzzy harmonic, fuzzy first Zagreb, and fuzzy second Zagreb indices of Tetracene’s chemical structure. A graphical analysis of our results reveals a positive correlation between the size of the graph and the values of these indices. Our findings contribute to the growing body of research on the application of topological indices in chemistry and pharmacology, highlighting their potential in streamlining the drug discovery process.
Chemical PapersChemical Engineering-General Chemical Engineering
CiteScore
3.30
自引率
4.50%
发文量
590
期刊介绍:
Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.