Global Government applications of analogues, SAR s and QSAR s to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals

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.

[1]  I. Gerner,et al.  Local Irritation/Corrosion Testing Strategies: Extending a Decision Support System by Applying Self-Learning Classifiers , 2000, Alternatives to laboratory animals : ATLA.

[2]  John D. Walker,et al.  Structure Activity Relationships For Predicting Ecological Effects Of Chemicals , 2002 .

[3]  C. Auer,et al.  SAR—The U.S. Regulatory Perspective , 1994 .

[4]  D G Hoel,et al.  Predictive strategies for selecting 379 NCI/NTP chemicals evaluated for carcinogenic potential: scientific and public health impact. , 1993, Fundamental and applied toxicology : official journal of the Society of Toxicology.

[5]  P. Wagner,et al.  The new chemicals process at the Environmental Protection Agency (EPA): structure-activity relationships for hazard identification and risk assessment. , 1995, Toxicology letters.

[6]  M. Zeeman,et al.  Ecological Hazard Evaluation and Risk Assessment Under EPA's Toxic Substances Control Act (TSCA): An Introduction , 1993 .

[7]  Jd Walker The TSCA Interagency Testing Committee, 1977 to 1992: Creation, Structure, Functions and Contributions , 1993 .

[8]  J V Nabholz,et al.  Environmental hazard and risk assessment under the United States Toxic Substances Control Act. , 1991, The Science of the total environment.

[9]  Svante Wold,et al.  A strategy for ranking environmentally occurring chemicals: Part II. An illustration with two data sets of chlorinated aliphatics and aliphatic alcohols , 1989 .

[10]  J. Contrera,et al.  A new highly specific method for predicting the carcinogenic potential of pharmaceuticals in rodents using enhanced MCASE QSAR-ES software. , 1998, Regulatory toxicology and pharmacology : RTP.

[11]  I Gerner,et al.  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 , 2000, Alternatives to laboratory animals : ATLA.

[12]  M Zeeman,et al.  Environmental Risk Assessment of New Chemicals Under the Toxic Substances Control Act TSCA Section Five , 1993 .

[13]  R D Benz,et al.  Use of toxicological information in drug design. , 2000, Journal of molecular graphics & modelling.

[14]  J V Nabholz,et al.  U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations. , 1995, SAR and QSAR in environmental research.

[15]  J. Nabholz,et al.  The Use and Application of QSARs in the Office of Toxic Substances for Ecological Hazard Assessment of New Chemicals , 1993 .

[16]  J. Huff,et al.  Predictive Strategies for Selecting 379 NCI/NTP Chemicals Evaluated for Carcinogenic Potential: Scientific and Public Health Impact , 1993 .

[17]  Moiz M Mumtaz,et al.  Applications of computational toxicology methods at the Agency for Toxic Substances and Disease Registry. , 2002, International journal of hygiene and environmental health.

[18]  Svante Wold,et al.  A strategy for ranking environmentally occurring chemicals , 1989 .

[19]  W Karcher,et al.  Assessment of QSARS for Predicting Fate and Effects of Chemicals in the Environment: An International European Project. , 1995, SAR and QSAR in environmental research.

[20]  Wayne A. Morrissey The National Oceanic and Atmospheric Administration (NOAA) , 2002 .

[21]  L. Walker,et al.  The importance of the gut and its contents in prey as a source of cadmium to predators , 2002, Environmental toxicology and chemistry.

[22]  John D. Walker,et al.  New Cost-Effective, Computerized Approachesto Selecting Chemicals for Priority Testing Consideration , 1988 .

[23]  F. Lindgren,et al.  Fast screening of large databases using clustering and PCA based on structure fragments , 1996 .

[24]  A W Lange,et al.  Experiences with the application of QSAR in the routine of the notification procedure. , 1995, SAR and QSAR in environmental research.

[25]  J V Nabholz,et al.  Mode of action and the assessment of chemical hazards in the presence of limited data: use of structure-activity relationships (SAR) under TSCA, Section 5. , 1990, Environmental health perspectives.

[26]  J. Nabholz,et al.  Validation of Structure Activity Relationships Used by the USEPA's Office of Pollution Prevention and Toxics for the Environmental Hazard Assessment of Industrial Chemicals , 1993 .

[27]  Svante Wold,et al.  A strategy for ranking environmentally occurring chemicals. Part III: Multivariate quantitative structure‐activity relationships for halogenated aliphatics , 1990 .

[28]  J D Walker Chemical selection by the Interagency Testing Committee: use of computerized substructure searching to identify chemical groups for health effects, chemical fate and ecological effects testing. , 1991, The Science of the total environment.

[29]  Fredrik Lindgren,et al.  QSARs based on statistical design and their use for identifying chemicals for further biological testing , 1990 .

[30]  Werner Klein,et al.  Priority setting of existing chemicals , 1988 .

[31]  D MacDonald,et al.  Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms , 2002, SAR and QSAR in environmental research.