Asma Khalid, Shoaib Iqbal, Muhammad Kamran Siddiqui
{"title":"NM-polynomial-based topological indices and graph entropies of porphyrazine","authors":"Asma Khalid, Shoaib Iqbal, Muhammad Kamran Siddiqui","doi":"10.1007/s11227-024-06440-y","DOIUrl":null,"url":null,"abstract":"<p>Porphyrazine is a macrocyclic molecule that has potential uses in biology and materials research. In this work, we investigate the topological characteristics of porphyrazine via topological indices. These indices are important in QSPR and QSAR modeling because they aid in the analysis and prediction of physical, biological, and chemical properties associated with a specific chemical structure. In this paper, we investigate neighborhood M-polynomial and graph index-entropy of porphyrazine graph, deriving several topological indices based on neighborhood degree sum from it, and numerical computation and graphical interpretation are used to explain the results further. This research advances our understanding of the basic principles of physics and chemistry by shedding light on the intricate connections between biological processes, chemical reactivity, and molecular structure.</p>","PeriodicalId":501596,"journal":{"name":"The Journal of Supercomputing","volume":"61 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Supercomputing","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s11227-024-06440-y","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Porphyrazine is a macrocyclic molecule that has potential uses in biology and materials research. In this work, we investigate the topological characteristics of porphyrazine via topological indices. These indices are important in QSPR and QSAR modeling because they aid in the analysis and prediction of physical, biological, and chemical properties associated with a specific chemical structure. In this paper, we investigate neighborhood M-polynomial and graph index-entropy of porphyrazine graph, deriving several topological indices based on neighborhood degree sum from it, and numerical computation and graphical interpretation are used to explain the results further. This research advances our understanding of the basic principles of physics and chemistry by shedding light on the intricate connections between biological processes, chemical reactivity, and molecular structure.