Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances

被引:154
作者
Cronin, MTD
Walker, JD
Jaworska, JS
Comber, MHI
Watts, CD
Worth, AP
机构
[1] Liverpool John Moores Univ, Sch Pharm & Chem, Liverpool L3 3AF, Merseyside, England
[2] US EPA, Tox Subst Control Act Interagcy, Testing Comm, Washington, DC 20460 USA
[3] Procter & Gamble Co, Strombeek Bever, Belgium
[4] ExxonMobil Biomed Sci Inc, Prod Stewardship & Regulatory Affairs, Machelen, Belgium
[5] NSF, WRc, Natl Ctr Environm Toxicol, Marlow, Bucks, England
[6] European Commiss, European Chem Bur, Inst Hlth & Consumer Protect, Joint Res Ctr, Ispra, Italy
关键词
bioaccumulation; chemical substances; persistence; QSAR; regulatory agencies; toxicity;
D O I
10.1289/ehp.5759
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
This article is a review of the use, by regulatory agencies and authorities, of quantitative structure-activity relationships (QARs) to predict ecologic effects and environmental fate of chemicals. For many years, the U.S. Environmental Protection Agency has been the most prominent regulatory agency using QSARs to predict the ecologic effects and environmental fate of chemicals. However, as increasing numbers of standard QSAR methods are developed and validated to predict ecologic effects and environmental fate of chemicals, it is anticipated that more regulatory agencies and authorities will find them to be acceptable alternatives to chemical testing.
引用
收藏
页码:1376 / 1390
页数:15
相关论文
共 175 条
[51]  
Hansch C., 1979, Substituent constants for correlation analysis in chemistry and biology
[52]   Priority setting for existing chemicals: European Union risk ranking method [J].
Hansen, BG ;
van Haelst, AG ;
van Leeuwen, K ;
van der Zandt, P .
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1999, 18 (04) :772-779
[53]   IUCLID: An information management tool for existing chemicals and biocides [J].
Heidorn, CJA ;
Rasmussen, K ;
Hansen, BG ;
Norager, O ;
Allanou, R ;
Seynaeve, R ;
Scheer, S ;
Kappes, D ;
Bernasconi, R .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (03) :779-786
[54]   INTRINSIC HYDROPHILIC CHARACTER OF ORGANIC COMPOUNDS - CORRELATIONS IN TERMS OF STRUCTURAL CONTRIBUTIONS [J].
HINE, J ;
MOOKERJEE, PK .
JOURNAL OF ORGANIC CHEMISTRY, 1975, 40 (03) :292-298
[55]   Prediction of estrogen receptor binding for 58,000 chemicals using an integrated system of a tree-based model with structural alerts [J].
Hong, HX ;
Tong, WD ;
Fang, H ;
Shi, LM ;
Xie, Q ;
Wu, J ;
Perkins, R ;
Walker, JD ;
Branham, W ;
Sheehan, DM .
ENVIRONMENTAL HEALTH PERSPECTIVES, 2002, 110 (01) :29-36
[56]   BIOLOG, BIODEG, AND FATE EXPOS - NEW FILES ON MICROBIAL-DEGRADATION AND TOXICITY AS WELL AS ENVIRONMENTAL FATE EXPOSURE OF CHEMICALS [J].
HOWARD, PH ;
HUEBER, AE ;
MULESKY, BC ;
CRISMAN, JS ;
MEYLAN, W ;
CROSBIE, E ;
GRAY, DA ;
SAGE, GW ;
HOWARD, KP ;
LAMACCHIA, A ;
BOETHLING, R ;
TROAST, R .
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, 1986, 5 (11) :977-988
[57]  
HOWARD PH, 1987, ENVIRON TOXICOL CHEM, V6, P1, DOI 10.1897/1552-8618(1987)6[1:BDEFBR]2.0.CO
[58]  
2
[59]  
HOWARD PH, 1992, ENVIRON TOXICOL CHEM, V11, P593, DOI 10.1897/1552-8618(1992)11[593:PMFABD]2.0.CO
[60]  
2