Computational Toxicology Research (CompTox)

At a Glance
  • Status: Active Consortium
  • Year Launched: 2007
  • Initiating Organization: Environmental Protection Agency
  • Initiator Type: Government
  • No disease focus
  • Location: North America


The Environmental Protection Agency’s (EPA’s) Computational Toxicology research (CompTox) is part of its broader chemical safety research efforts. Because current chemical testing is expensive and time consuming, only a small fraction of chemicals have been fully evaluated for potential adverse human health effects. CompTox is researching new, more efficient ways to address managing the safety of chemicals, particularly in assessing chemicals for human health effects.


The National Center for Computational Toxicology (NCCT) is the largest component of EPA’s CompTox program. It was established in 2005 to coordinate computational toxicology research on chemical screening and prioritization, informatics, and systems modeling. NCCT is involved in the following areas:

Structure & Governance

NCCT coordinates CompTox activities and works internally with EPA’s other research programs, labs, and centers.

Points of Contact

Monica Linnenbrink
109 T.W. Alexander Drive
Research Triangle Park, NC 27709

Sponsors & Partners

U.S. Environmental Protection Agency—initiator

Advanced Chemistry Development, Toronto, ON

Altamira LLC



Astellas Pharma Inc.



Battelle Memorial Institute/PNNL

Baylor University

BioDetection Systems

Biotranex LLC

Boston Children’s Hospital

British Columbia Cancer Agency Branch

California Office of Environmental Health Hazard Assessment (OEHHA)

Caliper Life Sciences (formerly NovaScreen Biosciences Corp)

Centers for Disease Control and Prevention/National Institute for Occupational Safety and Health


DiscoveRX Corporation 

Douglas Connect

Dow Chemical Company

Duke University

DuPont Exit

Ecole Polytechnique Federale de Lausanne (EPFL)

Eli Lilly and Company 


European Chemicals Agency (ECHA) 

European Commission Joint Research Centre (JRC), Institute for Health and Consumer Protection

Fraunhofer Institut fur Toxikologie und Experimentelle Medizin


Harvard University Department of Stem Cell and Regenerative Biology Lee Rubin Lab 

Health Canada


Hoffman-LaRoche Inc. 

ILSI North America 

Imperial College of Science, Technology and Medicine

Indiana University BioComplexity Institute (part of the Texas Indiana Virtual STAR Center) 

Institute of Occupational Medicine (IOM)

Istituto di Ricerche Farmacologiche “Mario Negri,” Milano, Italy

IUF Leibniz Research Institute of Environmental Medicine

John Hopkins University/CAAT


Massachusetts Institute of Technology


MitoHealth, Inc.

Molecular Networks GmbH – Computerchemie

National Food Institute

National Institute of Environmental Health Sciences/National Toxicology Program

National Institutes of Health Chemical Genomics Center

Netherlands Organization for Applied Research TNO

North Carolina Central University’s BRITE Institute Center of Excellence 

North Carolina State University

Oregon State University 

Pfizer Inc. 

Polyone Corporation 

Safer Medicines Trust

Sanford-Burnham Medical Research Institute

Sanofi Aventis Exit

Silent Spring Institute

Texas A&M Health Science Center 

The DOW Chemical Company 

The George Washington University

The Governors of the University of Calgary

The Hamner Institutes for Health Sciences

The Regents of the University of California

The Regents of the University of California, Berkeley

The Regents of the University of California, Los Angeles

The Regents of the University of Michigan

The Royal Institution for the Advancement of Learning/McGill University

The Scripps Research Institute

The University of British Columbia

U.S. Army Center for Environmental Health Research

U.S. Environmental Protection Agency/National Center of Environmental Assessment (NCEA)

U.S. Environmental Protection Agency/National Exposure Research Laboratory

U.S. Environmental Protection Agency/National Health & Environmental Effects Research Laboratory (NHEERL)

U.S. Environmental Protection Agency/Office of Chemical Safety and Pollution Prevention

U.S. Food and Drug Administration/National Center for Toxicological Research

U.S. Food and Drug Administration/Office of Food Additive Safety, Center for Food Safety and Applied Nutrition, College Park, MD

University College Dublin

University of California, Berkeley

University of Cambridge

University of Cincinnati 

University of Houston (Texas Indiana Virtual STAR Center) 

University of Los Angeles (UCLA) School of Medicine 

University of Massachusetts, Lowell 

University of Medicine and Dentistry of New Jersey Robert Wood Johnson Medical School’s Department of Pharmacology 

University of North Carolina at Chapel Hill

University of North Carolina Center for Computational Toxicology 

University of North Carolina Neuroscience Center

University of North Carolina School of Global Public Health, Chapel Hill

University of Texas, Austin 

University of Washington

University of Wisconsin-Madison

WatchFrog S.A. 

Weil Medical College of Cornell University

Yale University


Last Updated: 04/14/2016

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