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 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.

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Publication Details

Journal
Scientific Reports
Published
2024-11-19
DOI
https://doi.org/10.1038/s41598-024-78045-7
Citations
5
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
1.81
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article

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

Shoaib Iqbal, Tariq Javed Zia, Asma Khalid, Muhammad Kamran Siddiqui et al.
5 citations
Scientific Reports
Computational Drug Discovery Methods
1.81
article

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

Shoaib Iqbal, Tariq Javed Zia, Asma Khalid, Muhammad Kamran Siddiqui, Brima Gegbe
article en
5 citations

Abstract

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.

Scientific ReportsVol. 14(1)
COMSATS University Islamabad (PK), Njala University (SL), Air University (PK)
Openalex Percentile: Top 13%
Computational Drug Discovery Methods
1.81
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