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<p>Topological indices are graph invariants of the molecular graph that facilitate the study of structural characteristics pertaining to connectivity and shape. This paper addresses the application of degree-based topological indices coupled with Shannon entropy to analyze the structural features of covalent organic frameworks JLU44 and JLU45. Covalent Organic Frameworks (COFs) are a class of crystelline, porus organic polymers characterized by strong covalent linages between their building blocks. The study addresses the complexity and uncertainties inherent in molecular structures by pinpointing graph-theoretical metrics, effectively representing the connectivity and interaction dynamics among the molecules. The utilization of Shannon entropy derived from topological indices improves the understanding of structural information, aiding in the comparative analysis of the frameworks’ structural characteristics. This demonstrates the efficiency of entropy-based metrics in measuring molecular complexity and highlights the value of topological descriptors in furthering the investigation of chemically relevant graph structures.</p>

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Comparative structural analysis of certain covalent organic frameworks through entropy and degree-based topological indices

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年4月30日

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  • Flemin Sajeev,
  • Roy S.,
  • Jyothish K.,
  • Gayathri K. B.

摘要

Topological indices are graph invariants of the molecular graph that facilitate the study of structural characteristics pertaining to connectivity and shape. This paper addresses the application of degree-based topological indices coupled with Shannon entropy to analyze the structural features of covalent organic frameworks JLU44 and JLU45. Covalent Organic Frameworks (COFs) are a class of crystelline, porus organic polymers characterized by strong covalent linages between their building blocks. The study addresses the complexity and uncertainties inherent in molecular structures by pinpointing graph-theoretical metrics, effectively representing the connectivity and interaction dynamics among the molecules. The utilization of Shannon entropy derived from topological indices improves the understanding of structural information, aiding in the comparative analysis of the frameworks’ structural characteristics. This demonstrates the efficiency of entropy-based metrics in measuring molecular complexity and highlights the value of topological descriptors in furthering the investigation of chemically relevant graph structures.