Comparative study of four QSAR models of aromatic compounds to aquatic organisms

Article type: Research Article

Authors: Yu, Ruilian | Hu, Gong-ren | Zhao, Yuan-hui

Affiliations: College of Materials Science and Engineering, Huaqiao University, Quanzhou 362011, China, E-mail:grhu@hqu.edu.cn | Department of Environmental Science, Northeast Normal University, Changchun 130024, China

Abstract: Quantitative structure-activity relationships (QSARs) were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, linear solvation energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy.

Keywords: aromatic compounds, Photobacterium phosphoreum, Daphnia magna, QSAR models

Journal: Journal of Environmental Sciences, vol. 14, no. 4, pp. 552-557, 2002