研究一些以偏心为基础的拓指数的第二种类型的主导大卫衍生的网络
Jia-Bao Liu1, Haidar Ali2, Didar Abdulkhaleq Ali3
1School of Mathematics and Physics, Anhui Jianzhu University, Hefei, 230601, China.
Combinatorial chemistry & high throughput screening
|September 1, 2023
概括
新的公式计算了以异常度为基础的描述器来统治大卫衍生网络,有助于理解它们的碎形属性和化学和药理学中的应用.
科学领域:
- 图形理论是指图形的理论.
- 网络分析 网络分析
- 数学化学是数学化学的一个方面.
背景情况:
- 主导大卫衍生网络表现出碎形属性,在拓学,化学和计算机科学中具有应用.
- 分子结构描述器将化学结构与生物活性相关联,这对药理学至关重要.
研究的目的:
- 开发封闭式公式,用于以异常度为基础的描述符的第二种类型的主导大卫衍生网络.
- 能够计算化学图的热力学特征,物理化学性质和生物活动.
主要方法:
- 基于度,偏心和发生的枢纽度来划分顶点集.
- 应用组合学方法从这些分区计算基于异心率的指数.
主要成果:
- 为D2 (m) 网络的总离心率和平均离心率推导的公式.
- 扎格勒布指数,一个基于距离的拓指数,也计算为D2{\displaystyle D^{2}}m).
结论:
- 计算有助于估计化学结构的碎形,热力学和物理化学性质.
- 在技术和科学进步中,D2 ((m) 网络设计的应用超出了配置和抗冲击性能.
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