Open AccessBonding parameter topological index application in lanthanides quantitative structure-activity relationship
Author(s) -
Hongshan Yang,
Lin Yang,
Yingying Jin
Publication year - 2019
Publication title -
iop conference series. earth and environmental science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 26
eISSN - 1755-1307
pISSN - 1755-1315
DOI - 10.1088/1755-1315/300/5/052027
Subject(s) - lanthanide , quantitative structure–activity relationship , topological index , linear regression , index (typography) , regression analysis , mathematics , regression , basis (linear algebra) , thermodynamics , element (criminal law) , biological system , chemistry , computational chemistry , computer science , statistics , physics , stereochemistry , geometry , organic chemistry , ion , world wide web , biology , political science , law
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.