拓扑指数
化学
分子图
数量结构-活动关系
拓扑(电路)
分子描述符
学位(音乐)
计算化学
碳氢化合物
芳香性
图形
不变(物理)
图论
多环芳烃
分子
生物系统
立体化学
有机化学
理论计算机科学
数学
计算机科学
组合数学
物理
量子力学
生物
声学
作者
Dongming Zhao,Muhammad Kamran Siddiqui,Imran Zulfiqar Cheema,Mehwish Hussain Muhammad,Abdul Rauf,Muhammad Ishtiaq
标识
DOI:10.1080/10406638.2020.1867203
摘要
A molecular descriptor is a real valued number related to a molecular graph and is a structural invariant. Molecular Descriptors(Topological Indices) are the significant numerical quantities in the fields of chemical graph theory. Quantitative structure-property relationships (QSPR)and structure-activity relationships (SAR) of the polycyclic aromatic hydrocarbon compounds necessitate expressions for the molecular topological features of these compounds. Topological indices are vital devices for investigating chemical compounds to comprehend the fundamental topology of chemical structures. Ev-degree and ve-degree based topological indices are two novel degrees based indices as of late defined in graph theory. Ev-degree and ve-degree based molecular descriptor (topological indices) have been defined as corresponding to their relating partners. In this paper, we have computed topological indices based on ev-degree and ve-degree for the Polycyclic Aromatic Hydrocarbon (PAHn).
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