通过化学图论中的模糊拓扑指数对四烯的分子洞察

IF 2.2 4区化学 Q2 Engineering

Chemical Papers Pub Date : 2025-03-14 DOI:10.1007/s11696-025-03979-9

Zeeshan Saleem Mufti, Ali Tabraiz, Muhammad Farhan Hanif, Mehr-un-Nisa

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引用次数: 0

摘要

拓扑指数已成为设计药理学化合物的重要工具，提供了一种具有成本效益的生物测试替代方案。本文对多环芳烃四烯的模糊拓扑指数进行了计算和分析。具体来说，我们计算了四烯化学结构的模糊Randic指数、模糊调和指数、模糊第一萨格勒布指数和模糊第二萨格勒布指数。我们的结果的图形分析揭示了图形的大小和这些指数的值之间的正相关关系。我们的发现促进了拓扑指数在化学和药理学中应用的研究，突出了它们在简化药物发现过程中的潜力。

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Molecular insights into Tetracene through fuzzy topological indices in chemical graph theory

Topological indices have emerged as a vital tool in designing pharmacological compounds, offering a cost-effective alternative to biological testing. This study computes and analyzes the fuzzy topological indices of Tetracene, a polycyclic aromatic hydrocarbon. Specifically, we calculate the fuzzy Randic, fuzzy harmonic, fuzzy first Zagreb, and fuzzy second Zagreb indices of Tetracene’s chemical structure. A graphical analysis of our results reveals a positive correlation between the size of the graph and the values of these indices. Our findings contribute to the growing body of research on the application of topological indices in chemistry and pharmacology, highlighting their potential in streamlining the drug discovery process.

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来源期刊

Chemical Papers Chemical Engineering-General Chemical Engineering

CiteScore

3.30

自引率

4.50%

发文量

590

期刊介绍： Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.