会议论文详细信息
3rd International Symposium on Resource Exploration and Environmental Science | |
Bonding parameter topological index application in lanthanides quantitative structure-activity relationship | |
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 |
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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.
【 预 览 】
Files | Size | Format | View |
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Bonding parameter topological index application in lanthanides quantitative structure-activity relationship | 481KB | download |