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Computation and Analysis of Topological Co-Indices for Metal-Organic Compound
Current Organic Synthesis ( IF 1.7 ) Pub Date : 2021-11-30 , DOI: 10.2174/1570179418666210315143552
Dongming Zhao 1 , Mehwish Hussain Muhammad 2 , Muhammad Kamran Siddiqui 3 , Muhammad Nasir 3 , Muhammad Faisal Nadeem 3 , Muhammad Farhan Hanif 3
Affiliation  

A topological descriptor is a mathematical illustration of a molecular construction that relates particular physicochemical properties of primary molecular structure as well as its mathematical depiction. Topological co-indices are usually applied for quantitative structure action relationships (QSAR) and quantitative structure property relationships (QSPR). Topological co-indices are topological descriptor which consider the noncontiguous vertex set. In this study, we studyied some of the accompanied renowned topological co-indices: the 1st and 2nd Zagreb co-indices, the 1st and 2nd multiplicative Zagreb co-indices, and the F-coindex. By applying structure based examinations and deductions, we discuss the earlier stated co-indices of few synthetic atomic structures that are frequently used in clinical, synthetic, and material designing



中文翻译:

金属有机化合物拓扑共指数的计算与分析

拓扑描述符是分子结构的数学说明,它涉及一级分子结构的特定物理化学性质及其数学描述。拓扑协指数通常应用于定量结构作用关系(QSAR)和定量结构性质关系(QSPR)。拓扑协索引是考虑非连续顶点集的拓扑描述符。在这项研究中,我们研究了一些伴随的著名拓扑协指数:第 1 和第 2 萨格勒布协指数、第 1 和第 2 乘法萨格勒布协指数和 F 协指数。通过应用基于结构的检查和推论,我们讨论了在临床、合成和材料设计中经常使用的少数合成原子结构的早期联合指数

更新日期:2021-12-03
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