对古怪邻居萨格勒布指数及其重要性进行计算分析
Hanan Ahmed1,2, Anwar Saleh3, Rashad Ismail4
1Department of Mathematics, Yuvaraja's College, University of Mysore, Mysuru, India.
Heliyon
|July 31, 2023
概括
这项研究引入了新的古怪的邻居萨格勒布指数来预测化学沸点. 这些新的拓指数显示出预测化学性质的潜力,其性能优于现有的测量方法.
科学领域:
- 化学图形理论 化学图形理论
- 数学化学是数学化学的一个方面.
- 预测建模的预测建模.
背景情况:
- 拓指数对于预测化学性质至关重要.
- 像维纳和异常连接等现有指数具有局限性.
- 需要新的指数来提高预测能力.
研究的目的:
- 概念化和定义新的古怪的邻里萨格勒布索引.
- 调查这些新指数的歧视力.
- 将他们对化学沸点的预测能力与已建立的指数进行比较.
主要方法:
- 基于图形理论的古怪邻居萨格勒布指数的开发.
- 应用这些指数来预测化学物质的沸点.
- 用维纳和异常连接指数进行比较分析.
- 导出各种图形运算的显式结果.
主要成果:
- 成功概念化了古怪的邻居萨格勒布索引.
- 展示新指数的区分能力.
- 与现有拓指数相比,显示潜在优势的比较.
- 获得了图形运算的明确结果.
结论:
- 奇特的邻居萨格勒布指数为化学性质预测提供了一个有前途的新工具.
- 这些新型指数在沸点预测方面表现出显著的区分能力.
- 对这些指数的进一步研究可以促进化学信息学和药物设计.
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