The exposure data landscape for manufactured chemicals.

The U.S. Environmental Protection Agency is developing chemical screening and prioritization programs to evaluate environmental chemicals for potential risk to human health in a rapid and efficient manner. As part of these efforts, it is important to catalog available information on chemical toxicity and exposure from widely dispersed sources. The main objective of this analysis is to define important aspects of the exposure space and to catalog the available exposure information for chemicals being considered for analysis as part of the U.S. EPA ToxCast™ screening and prioritization program. Publicly available exposure data have been extracted into ACToR (Aggregated Computational Toxicology Resource), which combines information for hundreds of thousands of chemicals from >600 public sources. We use data from ACToR to assess the exposure data landscape for environmental chemicals. Of the roughly 100,000 chemicals that have at least limited toxicity information available, less than one-fifth also have exposure information - and for most of these the information is of limited utility (e.g., production volume). Readily accessible data on concentrations in exposure-related media are only available for a much smaller fraction. Among these, the largest number of chemicals is measured in water with over 1150 unique compounds, followed by 788 substances measured in soil, and 670 in air. These small numbers clearly reflect a focus of resources on those substances previously identified as possibly posing a hazard to human health. Exposure to a much broader number of chemicals will need to be measured in order to fully realize the envisioned goal of using exposure information to guide toxicity testing.

[1]  Theo Vermeire,et al.  Risk assessment of chemicals : an introduction , 2007 .

[2]  V. Ranade,et al.  Risk Assessment of Chemicals-An Introduction, 2nd ed , 2009 .

[3]  E. Faustman,et al.  Developmental toxicity: web resources for evaluating risk in humans. , 2002, Toxicology.

[4]  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.

[5]  Allan S Felsot WEB resources for pesticide toxicology, environmental chemistry, and policy: a utilitarian perspective. , 2002, Toxicology.

[6]  W. Nazaroff,et al.  SVOC partitioning between the gas phase and settled dust indoors , 2010 .

[7]  P. Howard,et al.  Are there other persistent organic pollutants? A challenge for environmental chemists. , 2006, Environmental science & technology.

[8]  J. Murmann Chemical Industries after 1850 , 2003 .

[9]  J. Mokyr,et al.  The Oxford Encyclopedia of Economic History , 2003 .

[10]  Konrad Hungerbühler,et al.  Assessments of Direct Human Exposure—The Approach of EU Risk Assessments Compared to Scenario‐Based Risk Assessment , 2007, Risk analysis : an official publication of the Society for Risk Analysis.

[11]  Thomas F Parkerton,et al.  Multimedia modeling of human exposure to chemical substances: The roles of food web biomagnification and biotransformation , 2010, Environmental toxicology and chemistry.

[12]  Michael P. Wilson,et al.  Toward a New U.S. Chemicals Policy: Rebuilding the Foundation to Advance New Science, Green Chemistry, and Environmental Health , 2009, Environmental health perspectives.

[13]  Wouter Fransman,et al.  Conceptual model for assessment of inhalation exposure to manufactured nanoparticles , 2011, Journal of Exposure Science and Environmental Epidemiology.

[14]  Jacqueline Patterson,et al.  Human health risk assessment: selected Internet and world wide web resources. , 2002, Toxicology.

[15]  R. Judson,et al.  The Toxicity Data Landscape for Environmental Chemicals , 2008, Environmental health perspectives.

[16]  C. Dobson Chemical space and biology , 2004, Nature.

[17]  Alexander Chuprina,et al.  Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers , 2010, J. Chem. Inf. Model..

[18]  Alex Stone,et al.  Sources of toxicity and exposure information for identifying chemicals of high concern to children , 2010 .

[19]  V. Armstrong,et al.  The Assessment and Management of Industrial Chemicals in Canada , 2007 .

[20]  M Zachary,et al.  Comparative PBT screening using (Q)SAR tools within REACH legislation , 2009, SAR and QSAR in environmental research.

[21]  Charles J. Weschler,et al.  Changes in indoor pollutants since the 1950s , 2009 .

[22]  Ann Richard,et al.  ACToR--Aggregated Computational Toxicology Resource. , 2008, Toxicology and applied pharmacology.

[23]  Thomas E McKone,et al.  BETR global--a geographically-explicit global-scale multimedia contaminant fate model. , 2011, Environmental pollution.

[24]  N King,et al.  Risk assessment and management of new and existing chemicals. , 1996, Environmental toxicology and pharmacology.

[25]  Stylianos Kephalopoulos,et al.  Issues in consumer exposure modeling: Towards harmonization on a global scale , 2007, Journal of Exposure Science and Environmental Epidemiology.

[26]  L S McCarty,et al.  On the validity of classifying chemicals for persistence, bioaccumulation, toxicity, and potential for long‐range transport , 2001, Environmental toxicology and chemistry.

[27]  A. Brazma,et al.  Standards for systems biology , 2006, Nature Reviews Genetics.

[28]  William W. Nazaroff,et al.  Semivolatile organic compounds in indoor environments , 2008 .

[29]  Trevor Ogden Data sharing, Federal Rule of Evidence 702, and the lions in the undergrowth. , 2009, The Annals of occupational hygiene.

[30]  Mark J. Nieuwenhuijsen,et al.  Human exposure modelling for chemical risk assessment: a review of current approaches and research and policy implications , 2006 .

[31]  THOMAS MCCURDY,et al.  The National Exposure Research Laboratory's Consolidated Human Activity Database* , 2000, Journal of Exposure Analysis and Environmental Epidemiology.