Malaysian Journal of Mathematical Sciences, March 2025, Vol. 19, No. 1
On Shannon's Strategy of Computing Degree Based Entropy Measures for Melamine Cyanuric Acid Molecular Structure
Renai, P. N. A. D., Roy, S., and Husin, M. N.
Corresponding Email: [email protected]
Received date: 29 March 2024
Accepted date: 7 October 2024
Abstract:
This manuscript introduces an existing enhanced approach to Shannon's method for computing degree-based entropies, integrating both additive and multiplicative degree-based topological indices. It also assesses the physicochemical correlation capacity of the melamine cyanuric acid molecular structure, addressing implications for physicochemical and biological realms. Graph theoritical computational techniques were applied to investigate the interaction between melamine and cyanuric acid, revealing diverse binding configurations and emphasizing the importance of structural diversity in these complexes. The study represents the melamine cyanuric acid structure using three chemical graphs and establishes a hydrogen-bonded biomolecular network. From the comparison between multiplicative and additive degree based entropy measures the bond additive descriptors showed superior predictive performance for entropies, prompting further analysis on their correlation with entropy measures using linear regression models. Significant relationships between bond additive degree-based descriptors and entropy measures were observed, demonstrating potential for predictive modeling in physicochemical contexts.
Keywords: degree based entropies; edge partition; topological indices; physicochemical properties; melamine cyanuric acid
