ArticleScientific reports2023
Entropy structural characterization of zeolites BCT and DFT with bond-wise scaled comparison.
Article in Scientific reports, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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12 citing papers in PubMed.
- Derivation of closed-form analytical irregularity topological indices for ideal rock-salt lattices.Scientific reports · 2026Article
- Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology.Scientific reports · 2025Article
- Topological modeling and QSPR based prediction of physicochemical properties of bioactive polyphenols.Scientific reports · 2025Article
- Topological information entropy and spectral energy analysis in aminal-linked covalent organic frameworks.Scientific reports · 2025Article
- Mathematical study of silicate and oxide networks through Revan topological descriptors for exploring molecular complexity and connectivity.Scientific reports · 2025Article
- Neighbourhood Sum-Based Structural Analysis for Sodalite System.Current organic synthesis · 2025Article
- On analysis of phthalocyanine network through statistical method.Scientific reports · 2024Article
- A comparative study of topological entropy characterization and graph energy prediction for Marta variants of covalent organic frameworks.Frontiers in chemistry · 2024Article
- Modified reverse degree descriptors for combined topological and entropy characterizations of 2D metal organic frameworks: applications in graph energy prediction.Frontiers in chemistry · 2024Article
- A paradigmatic approach to the molecular descriptor computation for some antiviral drugs.Heliyon · 2023Article
- On K-Banhatti indices and entropy measure for rhodium (III) chloride via linear regression models.Heliyon · 2023Article
- Computational Analysis of Some More Rectangular Tessellations of Kekulenes and Their Molecular Characterizations.Molecules (Basel, Switzerland) · 2023Article
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5 authors.
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Abstract
Entropy of a connected network is a quantitative measure from information theory that has triggered a plethora of research domains in molecular chemistry, biological sciences and computer programming due to its inherent capacity to explore the structural characteristics of complex molecular frameworks that have low structural symmetry as well as high diversity. The analysis of the structural order is greatly simplified through the topological indices based graph entropy metrics, which are then utilized to predict the structural features of molecular frameworks. This predictability has not only revolutionized the study of zeolitic frameworks but has also given rise to new generations of frameworks. We make a comparative study of two versatile framework topologies namely zeolites BCT and DFT, which have been widely utilized to create a new generation of frameworks known as metal organic frameworks. We discuss bond-additive topological indices and compute entropy measure descriptors for zeolites BCT and DFT using degree and degree-sum parameters. In addition, we perform bond-wise scaled comparative analysis between BCT and DFT which shows that zeolite BCT has greater entropy values compared to zeolite DFT.
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