Zhao Dongming, Muhammad Mehwish Hussain, Siddiqui Muhammad Kamran, Nasir Muhammad, Nadeem Muhammad Faisal, Hanif Muhammad Farhan
School of Automation, Wuhan University of Technology, Wuhan, 430070, China.
College of chemistry, School of Chemical Engineering and Energy, Zhengzhou University, Zhengzhou 450001, China.
Curr Org Synth. 2021;18(8):750-760. doi: 10.2174/1570179418666210315143552.
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.
拓扑描述符是分子结构的一种数学表示，它关联着主要分子结构的特定物理化学性质及其数学描述。拓扑共指标通常应用于定量构效关系（QSAR）和定量构性关系（QSPR）。拓扑共指标是考虑非连续顶点集的拓扑描述符。在本研究中，我们研究了一些著名的伴随拓扑共指标：第一和第二 Zagreb 共指标、第一和第二乘法 Zagreb 共指标以及 F - 共指标。通过基于结构的检验和推导，我们讨论了一些在临床、合成和材料设计中常用的合成原子结构的上述共指标。
