Society of Toxicology

ToxCast™:

An Integrated In Vitro and Computational Approach to Define the Exposure-Dose-Toxicity Relationships in High-Throughput Screens.
Harvey J. Clewell1, Frank Boellmann1, Cornelia Smith2, Ling-Chieh Tsai1, Daniel M. Rotroff3, David J. Dix3, Melvin E. Andersen1, Stephen S. Ferguson2, Edward L. LeCluyse2, Russell S. Thomas1.  1The Hamner Institutes for Health Sciences, 6 Davis Drive, PO Box 12137, Research Triangle Park, NC 27709; 2CellzDirect, Invitrogen Corporation, Research Triangle Park, NC 27703; 3 National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Biochemical Activities of 320 ToxCast Chemicals Evaluated Across 239 Functional Targets.
Thomas Knudsen1, Keith Houck1, Richard Judson1, Amar Singh2, David Dix1, and Robert Kavlock1.  1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2Lockheed Martin, RTP, NC, USA.

Biological Profiling of Endocrine Related Effects of Chemicals in ToxCast
RJ Kavlock, D Dix, K Houck, R Judson, M Martin. National Center for Computational Toxicology, ORD, US EPA, RTP, NC, USA.

Cheminformatics Analysis of EPA ToxCast Chemical Libraries to Identify Domains of Applicability for Predictive Toxicity Models and Prioritize Compounds for Toxicity Testing.   
Lying Zhang1, Hao Zhu1, Ivan Rusyn1, Richard Judson2, David Dix2, Keith Houck2, Matthew Martin2, Ann Richard2, Robert Kavlock2, Alexander Tropsha1.  1Carolina Center for Computational Toxicology, University of North Carolina at Chapel Hill, Chapel Hill, NC U.S.A; 2National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Developing Predictive Toxicity Signatures Using In Vitro Data from the EPA ToxCast Program. 
Richard Judson, David Dix, Keith Houck, Matthew Martin, Robert Kavlock. National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Evaluation of the ToxCast Suite of Cellular and Molecular Assays for Prediction of In Vivo Toxicity. 
Keith A. Houck. National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

High Throughput Genotoxicity Profiling of the US EPA ToxCast Chemical Library
S Little1, AW Knight2, L Birrell2, G Akerman3, N McCarroll3, D Dix1, K Houck1, R Judson1, R Kavlock1, M Martin1.  1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA;  2 Gentronix Ltd, CTF Building, 46 Grafton Street, Manchester, UK; 3. Health Effects Division, Office of Pesticide Programs, (MC 7509P), US EPA, Washington, DC, USA.

In Vitro Models of Human Toxicity Pathways. 
David J. Dix. National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Modeling Biotransformation Using In Vitro Data on Parent-Metabolite Pairs within the ToxCast Phase I Chemical Set.
Matthew T. Martin, David J. Dix, Keith Houck, Richard Judson, Robert Kavlock. National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Modulation of Xenobiotic Metabolizing Enzyme and Transporter Gene Expression in Primary Cultures of Human Hepatocytes by ToxCast Chemicals. 
D Rotroff1, A Beam2, K Freeman2, S Ferguson, E LeCluyse2, K Houck1, R Judson1, R Kavlock1, M Martin1, D Dix1.  1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2CellzDirect Inc./Invitrogen Corp., Durham, NC, USA.

Novel Informatic Approaches to Analyze Gene Expression Data with the ToxCast 320 Chemical Library in Cultures of Primary Human Hepatocytes. 
Andrew Beam1, Daniel Rotroff2, Kimberly Pott1, Adam Farmer1, Howard Bondell3, Keith Houck2, Richard Judson2, David Dix2, Edward LeCluyse1, Stephen Ferguson1.  1CellzDirect Inc/Invitrogen Corp., Durham, NC; 2 National Center for Computational Toxicology, ORD, US EPA, RTP, NC.; 3University of North Carolina at Chapel Hill, NC, USA.

Pathway-based Concentration Response Profiles from Toxicogenomics Data
Fathi Elloumi1, Richard Judson1, David Dix1, Imran Shah1, Thomas Knudsen1, David Reif1, Amar Singh2, Zhen Li3, Fred Wright3.  1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2Lockheed Martin, RTP, NC, USA; 3University of North Carolina at Chapel Hill, Department of Biostatistics, Chapel Hill, NC, USA.

Screening for Chemical Effects on Neuronal Proliferation and Neurite Outgrowth Using High-Content/High-Throughput Microscopy. 
Breier1 JM, Radio1 NM, Houck2 KA, Dix2 DJ, Judson2 RS, Kavlock2 RJ, Mundy1 WR, and Shafer1 TJ. 1National Health and Environmental Effects Lab (NHEERL), Neurotox Div, US EPA, RTP, NC, USA; 2 National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

The ToxCast Pathway Database (ToxPath) for Identifying Toxicity Signatures and Potential Modes of Action from Chemical Screening Data.
Holly Mortensen, David Dix, Keith Houck, Robert Kavlock, Imran Shah, Richard Judson. National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Toxicity Screening of the ToxCast Chemical Library Using a Zebrafish Developmental Assay. 
S. Padilla1 D. L. Hunter1, B. Padnos1, D. Corum2, D. J. Dix2, K. A. Houck2, T. B. Knudsen2 and M. T. Martin2.    1National Health and Environmental Effects Lab (NHEERL), Neurotox Div, US EPA, RTP, NC, USA; 2 National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

VIRTUAL TISSUES and GENOMICS

Identification of transcriptional networks involved in peroxisome proliferator chemical-induced hepatocyte proliferation. 
Beena Vallanat1,2, Richard Currie3, Jason R. Pirone1, Amar Singh1, Fathi Elloumi1, Chris Corton2, Imran Shah1
1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2National Health and Environmental Effects Lab (NHEERL), US EPA, RTP, NC, USA; 3Syngenta Central Toxicology Laboratory, Alderley Park, Cheshire, SK10 4TJ, UK.

Incorporating 'omics' in the study of reproduction and development: Virtual Tissue Models in Developmental Toxicology Research. 
Thomas Knudsen1, Imran Shah1, Michael Rountree3, Amar Singh2, and Robert Kavlock1
1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2Lockheed Martin, RTP, NC, USA, 3Contactor to National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Mode of action from dose-response microarray data: case study using 8 environmental chemicals. 
Jason R. Pirone1, David J. Dix1, Mike DeVito2 and Imran Shah1.  1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2National Health and Environmental Effects Lab (NHEERL), US EPA, RTP, NC, USA

Use of Gene Expression Changes in Blood to Elucidate Mechanistic Indicators of Childhood Asthma (MICA).  
Stephen Edwards1, David Reif2, Brooke Heidenfelder, Edward Hudgens, Lucas Neas1, Elaine Hubal2, Jane Gallagher1.  1National Health and Environmental Effects Lab (NHEERL), US EPA, RTP, NC, USA; 2National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

v-Liver™

Simulating Hepatic Tissue Lesions as Virtual Cellular Systems
Imran Shah1, Jason R. Pirone1, Keith Houck1, Beena Vallanat1,2, Chris Corton2, Mike DeVito2, Richard Judson1, David Dix1, Thomas Knudsen1, Rory Conolly1
1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2National Health and Environmental Effects Lab (NHEERL), US EPA, RTP, NC, USA

PFAAs

Examining Models for the Pharmacokinetics of Perfluorooctanoic Acid
John F. Wambaugh, Hugh A. Barton, R. Woodrow Setzer.  National Center for Computational Toxicology, US EPA, RTP, NC, USA

Pharmacokinetic Modeling of Perfluorooctanoic Acid During Gestation and Lactation in Mice. 
Chester E. Rodriguez, R. Woodrow Setzer, Hugh A. Barton.  National Center for Computational Toxicology, US EPA, RTP, NC, USA.

OTHER MODELS AND DATABASES

Biologically based dose-response modeling.
The potential for accurate description of the linkages in the applied dose-tissue dose-health effect continuum. Rory B. Conolly, National Center for Computational Toxicology, US EPA, RTP, NC, USA.

Computational Molecular Modeling Methods Applied to Screening for Toxicity
JR Rabinowitz1, SB Little1, M-R Goldsmith2.   1National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA; 2National Exposure Research Lab (NERL), US EPA, RTP, NC, USA.

Exposure Science for Chemical Prioritization and Toxicity Testing
Elaine Cohen Hubal.  National Center for Computational Toxicology (NCCT), US EPA, RTP, NC, USA.

Relating Data and Models to Characterize Parameter and Prediction Uncertainty.
R. Woodrow Setzer, National Center for Computational Toxicology, US EPA, RT