On topological indices and entropy measures of beryllonitrene network via logarithmic regression model

Chemical graph theory, a subfield of graph theory, is used to investigate chemical substances and their characteristics. Chemical graph analysis sheds light on the connection, symmetry, and reactivity of molecules. It supports chemical property prediction, research of molecular reactions, drug devel...

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Veröffentlicht in:Scientific reports 2024-03, Vol.14 (1), p.7187-7187, Article 7187
Hauptverfasser: Yu, Guofeng, Siddiqui, Muhammad Kamran, Hussain, Mazhar, Hussain, Nazir, Saddique, Zohaib, Petros, Fikre Bogale
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Sprache:eng
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Zusammenfassung:Chemical graph theory, a subfield of graph theory, is used to investigate chemical substances and their characteristics. Chemical graph analysis sheds light on the connection, symmetry, and reactivity of molecules. It supports chemical property prediction, research of molecular reactions, drug development, and understanding of molecular networks. A crucial part of computational chemistry is chemical graph theory, which helps researchers analyze and manipulate chemical structures using graph algorithms and mathematical models. Beryllonitrene , a compound of interest due to its potential applications in various fields, is examined through the lens of graph theory and mathematical modeling. The study involves the calculation and interpretation of topological indices and graph entropy measures, which provide valuable insights into the structural and energetic properties of Beryllonitrene’s molecular graph. Logarithmic regression models are employed to establish correlations between these indices, entropy, and other relevant molecular attributes. The results contribute to a deeper understanding of Beryllonitrene’s complex characteristics, facilitating its potential applications in diverse scientific and technological domains. In this study, degree-based topological indices TI are determined, as well as the entropy of graphs based on these TI .
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-57601-1