{"title":"使用基于度数的指数测量树枝状聚合物的熵值","authors":"","doi":"10.1016/j.sajce.2024.07.012","DOIUrl":null,"url":null,"abstract":"<div><p>Topological indices play a crucial role as molecular descriptors in QSAR/QSPR research. Graph entropy measurements are of great importance in various fields like chemistry, discrete mathematics, and biology. Information-theoretic values derived from topological indices, influenced by Shannon’s entropy, are used to analyze the structural characteristics of chemical graphs and complex networks. We discuss the analysis of graph entropies obtained from a new information function. It is equivalent to both the total number of edges and the various degrees of vertices. The information function is also employed to compute the entropies of the system and build a connection between connectivity indices and degrees. This study examines the chemical graphs of Carboxylate-terminated Zinc Phthalocyanine (CtZP) and Nanostar (NS), using the function to connect degree-based topological indices like First Zegrab index, Second Zagreb index, Hyper Zagreb index, Forgotten index, First Redefined Zagreb index, The Second Redefined Zagreb index, The Third Redefined Zagreb index, and Somber index, to calculate the entropies of these structures.</p></div>","PeriodicalId":21926,"journal":{"name":"South African Journal of Chemical Engineering","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S102691852400088X/pdfft?md5=d021e963d359fedc8806f5e7573cefa6&pid=1-s2.0-S102691852400088X-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Entropy measures of dendrimers using degree based indices\",\"authors\":\"\",\"doi\":\"10.1016/j.sajce.2024.07.012\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Topological indices play a crucial role as molecular descriptors in QSAR/QSPR research. Graph entropy measurements are of great importance in various fields like chemistry, discrete mathematics, and biology. Information-theoretic values derived from topological indices, influenced by Shannon’s entropy, are used to analyze the structural characteristics of chemical graphs and complex networks. We discuss the analysis of graph entropies obtained from a new information function. It is equivalent to both the total number of edges and the various degrees of vertices. The information function is also employed to compute the entropies of the system and build a connection between connectivity indices and degrees. This study examines the chemical graphs of Carboxylate-terminated Zinc Phthalocyanine (CtZP) and Nanostar (NS), using the function to connect degree-based topological indices like First Zegrab index, Second Zagreb index, Hyper Zagreb index, Forgotten index, First Redefined Zagreb index, The Second Redefined Zagreb index, The Third Redefined Zagreb index, and Somber index, to calculate the entropies of these structures.</p></div>\",\"PeriodicalId\":21926,\"journal\":{\"name\":\"South African Journal of Chemical Engineering\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S102691852400088X/pdfft?md5=d021e963d359fedc8806f5e7573cefa6&pid=1-s2.0-S102691852400088X-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"South African Journal of Chemical Engineering\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S102691852400088X\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"Social Sciences\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"South African Journal of Chemical Engineering","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S102691852400088X","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Social Sciences","Score":null,"Total":0}
Entropy measures of dendrimers using degree based indices
Topological indices play a crucial role as molecular descriptors in QSAR/QSPR research. Graph entropy measurements are of great importance in various fields like chemistry, discrete mathematics, and biology. Information-theoretic values derived from topological indices, influenced by Shannon’s entropy, are used to analyze the structural characteristics of chemical graphs and complex networks. We discuss the analysis of graph entropies obtained from a new information function. It is equivalent to both the total number of edges and the various degrees of vertices. The information function is also employed to compute the entropies of the system and build a connection between connectivity indices and degrees. This study examines the chemical graphs of Carboxylate-terminated Zinc Phthalocyanine (CtZP) and Nanostar (NS), using the function to connect degree-based topological indices like First Zegrab index, Second Zagreb index, Hyper Zagreb index, Forgotten index, First Redefined Zagreb index, The Second Redefined Zagreb index, The Third Redefined Zagreb index, and Somber index, to calculate the entropies of these structures.
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