On physical analysis of topological indices and entropy measures for porphyrazine structure using logarithmic regression model

The porphyrazine structure, known for its high chemical and thermal stability, has become a significant focus in materials science, chemical reactivity, functionalization, and drug design. By utilizing the new Zagreb-type indices to analyze the chemical structure of porphyrazine, we can gather more...

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Bibliographic Details
Published in:Scientific reports 2024-11, Vol.14 (1), p.28669-21, Article 28669
Main Authors: Khalid, Asms, Iqbal, Shoaib, Siddiqui, Muhammad Kamran, Zia, Tariq Javed, Gegbe, Brima
Format: Article
Language:English
Subjects:
639/638/440
639/705/1041
Chemical compounds
Chemical reactions
Computational chemistry
Drug development
Entropy
Graph entropy
Graphs
Humanities and Social Sciences
Information processing
Logarithmic regression
M-polynomial
Mathematics
Molecular structure
multidisciplinary
Physical analysis
Porphyrazine structure
R&D
Regression analysis
Research & development
Science
Science (multidisciplinary)
Thermal stability
Topological indices
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Summary:The porphyrazine structure, known for its high chemical and thermal stability, has become a significant focus in materials science, chemical reactivity, functionalization, and drug design. By utilizing the new Zagreb-type indices to analyze the chemical structure of porphyrazine, we can gather more information about their bonding and connecting patterns. This enables us to construct an entropy measure that helps evaluate the stability of the material and predict its behavior in different scenarios. Furthermore, establishing correlations between these indices and entropy using logarithmic regression models allows for a deeper understanding of complex properties of porphyrazine. This, in turn, opens up new possibilities for the compound’s potential applications across various scientific and technical fields. In our work, we have used the M-polynomial to derive molecular descriptors for degree-based topological indices and determine the entropy of the porphyrazine structure based on these descriptors.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-78045-7