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稠合苯系物的细矢指标的计数

Enumeration of the Hosoya index of pericondensed benzenoid system.

作者信息

Farooq Muhammad Talha, Almalki Norah, Kaemawichanurat Pawaton

机构信息

Department of Mathematics, Faculty of Science, King Mongkut's University of Technology Thonburi, Bangkok, Thailand.

Mathematics and Statistics with Applications (MaSA), Thailand.

出版信息

Heliyon. 2024 Sep 3;10(17):e37209. doi: 10.1016/j.heliyon.2024.e37209. eCollection 2024 Sep 15.

Abstract

In chemical graph theory, topological indices play an important role and have various uses in quantitative structure-property relationships (QSPR) as well as quantitative structure-activity relationships (QSARs). The Hosoya index is one of them, performing a molecular descriptor in mathematical chemistry. Therefore, progressing with investigations requires computing the Hosoya index of distinct molecular graphs. This research presents a computational method for determining the Hosoya index of pericondensed benzenoid systems using the transfer matrix approach and the Hosoya vector.

摘要

在化学图论中,拓扑指数起着重要作用,在定量结构-性质关系(QSPR)以及定量结构-活性关系(QSAR)中有着多种用途。 Hosoya指数就是其中之一,它在数学化学中作为一种分子描述符。因此,要推进相关研究就需要计算不同分子图的Hosoya指数。本研究提出了一种使用转移矩阵方法和Hosoya向量来确定周边稠合苯系物系统的Hosoya指数的计算方法。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ca57/11408760/c63f920a93d2/gr001.jpg

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