Bonding parameter topological index application in lanthanides quantitative structure-activity relationship

3rd International Symposium on Resource Exploration and Environmental Science

生态环境科学

Yang, Hanbiao^1 ; Yang, Lin^2 ; Jin, Yingying^2

School of Mathematics and Computational Science, Wuyi University, Jiangmen

520025, China^1

Department of Chemical Materials, Jiangmen Vocational and Technical College, Jiangmen

520025, China^2

关键词: Bonding parameters;    Correlation coefficient;    Hydration properties;    Linear regression equation;    Quantitative structure activity relationship;    Quantitative structures;    Topological index;   

Others  :  https://iopscience.iop.org/article/10.1088/1755-1315/300/5/052027/pdf
DOI  :  10.1088/1755-1315/300/5/052027

学科分类：环境科学（综合）

来源: IOP

【 摘 要 】

Quantitative structure relationship (QSAR) is an important way to explore chemical properties. This paper mainly studies the element bo nding parameter topo logical index of lanthanides and the linear regression equation of its hydration properties. Based on the predecessors, this paper improves the algorithm of element bo nding parameter topological index. A linear regression equation with a higher correlation coefficient was obtained. It provides a basis for further study of the theoretical characteristics of lanthanides hydration properties.