Yu Rui-lian, Hu Gong-ren, Zhao Yuan-hui
College of Materials Science and Engineering, Huaqiao University, Quanzhou 362011, China.
J Environ Sci (China). 2002 Oct;14(4):552-7.
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.
基于正辛醇/水分配系数、线性溶解能关系、分子连接性指数和基团贡献这四种方法，建立了43种芳香族化合物对费氏弧菌和大型溞毒性的定量构效关系（QSARs）。通过对四种QSAR方法的评估，证明线性溶解能关系是最佳方法。它适用于范围最广的化学品，且准确性最高。
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