基于 NM 多项式的卟吩拓扑指数和图熵

Asma Khalid, Shoaib Iqbal, Muhammad Kamran Siddiqui
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摘要

卟吩是一种大环分子,在生物学和材料研究领域具有潜在用途。在这项工作中,我们通过拓扑指数研究了卟吩的拓扑特性。这些指数在 QSPR 和 QSAR 建模中非常重要,因为它们有助于分析和预测与特定化学结构相关的物理、生物和化学特性。本文研究了卟啉图的邻域 M-多项式和图指数熵,并根据邻域度和推导出了几个拓扑指数,并通过数值计算和图形解释进一步解释了这些结果。这项研究通过揭示生物过程、化学反应性和分子结构之间错综复杂的联系,推进了我们对物理和化学基本原理的理解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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NM-polynomial-based topological indices and graph entropies of porphyrazine

Porphyrazine is a macrocyclic molecule that has potential uses in biology and materials research. In this work, we investigate the topological characteristics of porphyrazine via topological indices. These indices are important in QSPR and QSAR modeling because they aid in the analysis and prediction of physical, biological, and chemical properties associated with a specific chemical structure. In this paper, we investigate neighborhood M-polynomial and graph index-entropy of porphyrazine graph, deriving several topological indices based on neighborhood degree sum from it, and numerical computation and graphical interpretation are used to explain the results further. This research advances our understanding of the basic principles of physics and chemistry by shedding light on the intricate connections between biological processes, chemical reactivity, and molecular structure.

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