周密缩类系统的Hosoya索引的计数
Muhammad Talha Farooq1,2, Norah Almalki3, Pawaton Kaemawichanurat1,2
1Department of Mathematics, Faculty of Science, King Mongkut's University of Technology Thonburi, Bangkok, Thailand.
Heliyon
|September 19, 2024
概括
这项研究引入了一种新的计算方法来计算Hosoya指数,这是一个关键的分子描述符,用于复杂的类系统. 这笔预付款有助于进行定量结构与属性关系 (QSPR) 和结构与活动关系 (QSAR) 研究.
科学领域:
- 数学化学 数学化学
- 化学图形理论 化学图形理论
背景情况:
- 在化学图形理论中,拓索引对于QSPR和QSAR研究至关重要.
- 霍索亚指数是数学化学中使用的显著分子描述符.
- 对分子图表的Hosoya指数的高效计算对于推进研究至关重要.
研究的目的:
- 介绍一种用于确定Hosoya指数的新计算方法.
- 将这种方法应用于周密缩的类系统.
主要方法:
- 使用转移矩阵方法.
- 在计算中使用了Hosoya向量.
主要成果:
- 成功开发了一个计算方法,用于Hosoya指数的周密缩的类系统.
- 证明了转移矩阵和Hosoya向量方法的有效性.
结论:
- 拟议的方法为复杂的分子结构计算Hosoya指数提供了一种有效的方法.
- 这项研究通过提供分子描述器计算的新工具,为数学化学领域做出了贡献.
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