Review of (quantitative) structure-activity relationships for acute aquatic toxicity

被引：84

作者：

Netzeva, Tatiana I. ^{[1
]}

Pavan, Manuela ^{[1
]}

Worth, Andrew P. ^{[1
]}

机构：

[1] European Commiss, Joint Res Ctr, Inst Hlth & Consumer Protect, European Chem Bur, I-21027 Ispra, Italy

来源：

QSAR & COMBINATORIAL SCIENCE | 2008年 / 27卷 / 01期

关键词：

aquatic toxicity; QSAR; REACH;

D O I：

10.1002/qsar.200710099

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

This paper reviews different approaches described in the literature for estimating the aquatic toxicity of chemical substances. It is based on an extended review performed by the European Chemicals Bureau of the European Commission's Joint Research Centre in support of the development of technical guidance for the implementation of the REACH legislation, and is one of a series of minireviews in this journal. The paper is organised by approach for (Q)SAR development and includes a review of: (i) (Q)SARs for acute aquatic toxicity by chemical class, (ii) (Q)SARs for acute aquatic toxicity by mode of action, (iii) review of statistically derived (Q)SARs, (iv) structural alerts for excess aquatic toxicity and (v) expert systems that combine structural rules and multiple (Q)SAR models to predict aquatic toxicological endpoints. Directions and recommendations for further research are also provided.

引用

页码：77 / 90

页数：14

共 102 条

[1] Structure-toxicity relationships for selected halogenated aliphatic chemicals [J].