Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals

被引:43
作者
Walker, JD
Carlsen, L
Hulzebos, E
Simon-Hettich, B
机构
[1] US EPA, TSCA, ITC, Washington, DC 20460 USA
[2] Roskilde Univ Ctr, Dept Environm Technol & Social Studies, DK-4000 Roskilde, Denmark
[3] Natl Inst Publ Hlth & Environm, Ctr Substances & Risk, NL-3720 BA Bilthoven, Netherlands
[4] Merck KGAA, Inst Toxicol, D-64271 Darmstadt, Germany
基金
美国海洋和大气管理局;
关键词
SARs; QSARs; government; effects; environmental fate; physicochemical properties;
D O I
10.1080/1062936021000020062
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Faced with the need to predict physical and chemical properties, environmental fate, ecological effects and health effects of organic chemicals in the absence of experimental data, several Government organizations have been applying analogues, Structure Activity Relationships (SARs) and Quantitative Structure Activity Relationships (QSARs) to develop those predictions. To establish some benchmarks for monitoring future increases in applications of analogues, SARs and QSARs by global Government organizations, this paper describes the current applications of analogues, SARs and QSARs by Australian, Canadian, Danish, European, German, Japanese, Netherlands, and United States Government organizations to predict physical and chemical properties, environmental fate, ecological effects and health effects of organic chemicals.
引用
收藏
页码:607 / 616
页数:10
相关论文
共 45 条
[11]   PREDICTIVE STRATEGIES FOR SELECTING 379 NCI NTP CHEMICALS EVALUATED FOR CARCINOGENIC POTENTIAL - SCIENTIFIC AND PUBLIC-HEALTH IMPACT [J].
FUNG, VA ;
HUFF, J ;
WEISBURGER, EK ;
HOEL, DG .
FUNDAMENTAL AND APPLIED TOXICOLOGY, 1993, 20 (04) :413-436
[12]   Development of a decision support system for the introduction of alternative methods into local irritancy/corrosivity testing strategies. Creation of fundamental rules for a decision support system [J].
Gerner, I ;
Zinke, S ;
Graetschel, G ;
Schlede, E .
ATLA-ALTERNATIVES TO LABORATORY ANIMALS, 2000, 28 (05) :665-698
[13]  
Hermens J, 1995, SAR QSAR Environ Res, V3, P223, DOI 10.1080/10629369508234006
[14]   A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS [J].
JONSSON, J ;
ERIKSSON, L ;
SJOSTROM, M ;
WOLD, S ;
TOSATO, ML .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1989, 5 (02) :169-186
[15]  
Lange A W, 1995, SAR QSAR Environ Res, V3, P171, DOI 10.1080/10629369508234002
[16]  
MACDONALD D, 2002, IN PRESS SAR QSAR EN
[17]   A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software [J].
Matthews, EJ ;
Contrera, JF .
REGULATORY TOXICOLOGY AND PHARMACOLOGY, 1998, 28 (03) :242-264
[18]  
Matthews EJ, 2000, J MOL GRAPH MODEL, V18, P605
[19]  
MATTHEWS EJ, 2002, IN PRESS QSARS PREDI
[20]  
*MITI SUP, 1999, JCIA