酸结构通过修改多项式的应用
Haleemah Ghazwani1, Muhammad Kamran Jamil2, Ali Ahmad3
1Department of Mathematics, College of Science, Jazan University, Jazan, 45142, Saudi Arabia.
Scientific reports
|June 11, 2024
概括
本研究引入了修改过的多项式 (M-多项式) 用于分析分子结构和特性. 我们计算了化的M多项式,包括扎格勒布和兰迪奇指数,以描述其化学特性.
科学领域:
- 分子图形理论分子图形理论
- 化学图形理论 化学图形理论
- 化学信息学 化学信息学
背景情况:
- 修改多项式 (M-多项式) 为分析化学网络提供了一种新的方法.
- M多项式提供了代数形式的数值描述符,强调分子特征.
- 它们被用于量化结构与属性关系 (QSPR) 研究,以将材料属性与结构特征联系起来.
研究的目的:
- 为化结构计算各种修改的多项式.
- 用M多项式来提供化的多项式描述.
- 根据第一,第二和修改的萨格勒布索引以及兰迪奇和反兰迪奇索引计算特定的M多项式.
主要方法:
- 修改多项式技术在分子图理论中的应用.
- 对酸的M多项式的计算.
- 基于M多项式的第一个,第二个和修改后的萨格勒布索引的计算.
- 基于M多项式的兰迪奇和逆兰迪奇指数的计算.
主要成果:
- 成功计算了酸的几个修改过的多项式.
- 对酸结构的衍生多项式描述.
- 使用M多项式的量化特定拓索引 (扎格勒布,兰迪奇).
结论:
- 修改的多项式作为有效的数学工具来表征分子结构.
- 该研究成功地将M多项式应用于酸,产生了有价值的结构描述符.
- 这项工作有助于在QSPR和化学图形理论中应用M多项式.
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