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苯胺和苯酚毒性及生物降解性的定量构效关系模型比较。

Comparison of the QSAR models for toxicity and biodegradability of anilines and phenols.

作者信息

Damborsky J, Schultz T W

机构信息

Laboratory of Environmental Microbiology, Masaryk University Brno, Czech Republic.

出版信息

Chemosphere. 1997 Feb;34(2):429-46. doi: 10.1016/s0045-6535(96)00361-x.

DOI:10.1016/s0045-6535(96)00361-x
PMID:9057301
Abstract

Structure-activity models for toxicity and biodegradability of groups of m-anilines and p-phenols were developed and compared. Hydrophobicity was the most important property in determining toxicity. Whereas, electronic and steric properties were the more important in modeling biodegradation.

摘要

开发并比较了间苯胺和对苯酚基团的毒性和生物降解性的构效模型。疏水性是决定毒性的最重要性质。而电子和空间性质在生物降解建模中更为重要。

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