Office of Research and Development Publications

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Sayre, R., J. Wambaugh, AND C. Grulke. Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals. Scientific Data. Springer Nature, New York, NY, 7:122, (2020). https://doi.org/10.1038/s41597-020-0455-1

Linakis, M., R. Sayre, R. Pearce, Mark A. Sfeir, N. Sipes, H. Pangburn, J. Gearhart, AND J. Wambaugh. Development and Evaluation of a High Throughput Inhalation Model for Organic Chemicals. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 30(5):866-877, (2020). https://doi.org/10.1038/s41370-020-0238-y

Wegner, S., C. Pinto, C. Ring, AND J. Wambaugh. High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity. ENVIRONMENT INTERNATIONAL. Elsevier B.V., Amsterdam, Netherlands, 137:105470, (2020). https://doi.org/10.1016/j.envint.2020.105470

Friedman, K., M. Gagne, L. Loo, P. Karamertzanis, T. Netzeva, T. Sobanski, J. Franzosa, A. Richard, R. Lougee, A. Gissi, J. Lee, M. Angrish, J. Dorne, S. Foster, K. Raffaele, T. Bahadori, M. Gwinn, J. Lambert, M. Whelan, M. Rasenberg, T. Barton-Maclaren, AND R. Thomas. Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 173(1):202-225, (2020). https://doi.org/10.1093/toxsci/kfz201

Wambaugh, J., B. Wetmore, C. Ring, C. Nicolas, R. Pearce, G. Honda, R. Dinallo, D. Angus, J. Gilbert, T. Sierra, A. Badrinarayanan, B. Snodgrass, A. Brockman, C. Strock, R. Setzer, AND R. Thomas. Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 172(2):235-251, (2019). https://doi.org/10.1093/toxsci/kfz205

Ring, C., J. Arnot, D. Bennett, P. Egeghy, P. Fantke, L. Huang, K. Isaacs, O. Jolliet, K. Phillips, P. Price, H. Shin, J. Westgate, R. Setzer, AND J. Wambaugh. Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 53(2):719-732, (2019). https://doi.org/10.1021/acs.est.8b04056

Wambaugh, J., M. Hughes, C. Ring, D. MacMillan, J. Ford, T. Fennell, S. Black, R. Snyder, N. Sipes, B. Wetmore, J. Westerhout, Woodrow Setzer, R. Pearce, J. Simmons, AND R. Thomas. Evaluating In Vitro-In Vivo Extrapolation of Toxicokinetics. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 163(1):152-169, (2018). https://doi.org/10.1093/toxsci/kfy020

Strope, C., K. Mansouri, H. Clewell, J. Rabinowitz, C. Stevens, AND J. Wambaugh. High-Throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, Netherlands, 615:150-160, (2018). https://doi.org/10.1016/j.scitotenv.2017.09.033

Nicolas, C., K. Mansouri, K. Phillips, Chris Grulke, A. Richard, A. Williams, J. Rabinowitz, K. Isaacs, A. Yau, AND J. Wambaugh. Rapid Experimental Estimates of Physicochemical Properties to Inform Models and Testing. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 636:901-909, (2018). https://doi.org/10.1016/j.scitotenv.2018.04.266

Phillips, K., A. Yau, K. Favela, K. Isaacs, A. McEachran, Chris Grulke, A. Richard, A. Williams, J. Sobus, R. Thomas, AND J. Wambaugh. Suspect Screening Analysis of Chemicals in Consumer Products. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 52(5):3125-3135, (2018). https://doi.org/10.1021/acs.est.7b04781

Kapraun, Dustin F., John F. Wambaugh, C. Ring, R. Tornero-Velez, AND R. Woodrow Setzer. A Method for Identifying Prevalent Chemical Combinations in the US Population. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 125(8):1-16, (2017).

Sipes, N., J. Wambaugh, R. Pearce, S. Auerbach, B. Wetmore, J. Hsieh, A. Shapiro, D. Sboboda, M. DeVito, AND S. Ferguson. An Intuitive Approach for Predicting Human Risk with the Tox21 10k Library. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, (51):10786-10796, (2017).

Pearce, R., Woodrow Setzer, J. Davis, AND J. Wambaugh. Evaluation and Calibration of High-Throughput Predictions of Chemical Distribution to Tissues. JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS. Springer, New York, NY, 44(6):549-565, (2017). https://doi.org/10.1007/s10928-017-9548-7

Escher, B., J. Hackermüller, T. Polte, S. Scholz, A. Aigner, R. Altenburger, A. Bohme, S. Bopp, W. Brack, W. Busch, M. Chadeau-Hyam, A. Covaci, A. Eisentrager, J. Galligan, N. Garcia-Reyero, T. Hartung, M. Hein, G. Herberth, A. Jahnke, J. Kleinjans, N. Kluever, M. Krauss, M. Lamoree, I. Lehmann, T. Luckenbach, G. Miller, A. Mueller, D. Phillips, T. Reemtsma, U. Rolle-Kampczyk, G. Schuurmann, B. Schwikowski, C. Tan, S. Trump, S. Walter-Rohde, AND J. Wambaugh. From the exposome to mechanistic understanding of chemical-induced adverse effects. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, 99:97-106, (2017).

Pearce, R., Woodrow Setzer, C. Strope, N. Sipes, AND J. Wambaugh. HTTK: R Package for High-Throughput Toxicokinetics. Journal of Statistical Software. American Statistical Association, Alexandria, VA, 79(4):1-26, (2017).

Ring, C., R. Pearce, Woodrow Setzer, B. Wetmore, AND J. Wambaugh. Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, 106:105-118, (2017).

Egeghy, P., L. Sheldon, K. Isaacs, H. Ozkaynak, M. Goldsmith, J. Wambaugh, R. Judson, AND T. Buckley. Computational Exposure Science: An Emerging Discipline to Support 21st-Century Risk Assessment. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(6):697–702, (2016).

Rager, J., M. Strynar, S. Liang, R. McMahen, A. Richard, C. Grukle, J. Wambaugh, K. Isaacs, R. Judson, A. Williams, AND J. Sobus. Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, 88:269-280, (2016).

Dionisio, K., A. Frame, M. Goldsmith, J. Wambaugh, A. Liddell, T. Cathay, D. Smith, J. Vail, A. Ernstoff, P. Fantke, O. Jolliet, AND R. Judson. Exploring consumer pathways and patterns of use for chemicals in the environment. Toxicology Reports. Elsevier B.V., Amsterdam, Netherlands, 2:228-237, (2015).

Wetmore, B., John F. Wambaugh, B. Allen, S. Ferguson, M. Sochaski, R. Woodrow Setzer, Keith A. Houck, C. Strope, K. Cantwell, Richard S. Judson, E. LeCluyse, H. Clewell III, Russell S. Thomas, AND M. Andersen. Incorporating High-Throughput Exposure Predictions with Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, , 1-57, (2015).

Wambaugh, J., B. Wetmore, R. Pearce, C. Strope, R. Goldsmith, J. Sluka, A. Sedykh, A. Tropsha, S. Bosgra, I. Shah, R. Judson, R. Thomas, AND Woodrow Setzer. Toxicokinetic Triage for Environmental Chemicals. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 147(1):55-67, (2015).

Goldsmith, Rocky, Chris Grulke, R. Brooks, T. Transue, C. Tan, A. Frame, P. Egeghy, R. Edwards, D. Chang, R. Tornero-Velez, K. Isaacs, A. Wang, J. Johnson, K. Holm, M. Reich, J. Mitchell, D. Vallero, L. Phillips, M. Phillips, J. Wambaugh, R. Judson, T. Buckley, AND C. Dary. Development of a Consumer Product Ingredient Database for Chemical ExposureScreening and Prioritization. FOOD AND CHEMICAL TOXICOLOGY. Elsevier Science Ltd, New York, NY, 65:269-279, (2014).

Wambaugh, J., A. Wang, A. Frame, K. Dionisio, P. Egeghy, R. Judson, AND Woodrow Setzer. High Throughput Heuristics for Prioritizing Human Exposure to Environmental Chemicals. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 48:12760-12767, (2014).

WAMBAUGH, J. F., R. W. SETZER, D. REIF, S. GANGWAL, J. MITCHELLBLACKWOOD, J. A. ARNOT, O. JOLIET, A. FRAME, J. R. RABINOWITZ, T. B. KNUDSEN, R. S. JUDSON, P. P. EGEGHY, D. A. VALLERO, AND E. A. COHEN HUBAL. High-Throughput Models for Exposure-Based Chemical Prioritization in the ExpoCast Project . Jerald Schnoor (ed.), ENVIRONMENTAL SCIENCE AND TECHNOLOGY. John Wiley & Sons, Ltd., Indianapolis, IN, 47(15):8479-8488, (2013).

WETMORE, B. A., J. F. WAMBAUGH, S. S. FERGUSON, L. LI, H. J. CLEWEL III, R. JUDSON, K. FREEMAN, W. BAO, M. A. SOCHASKI, T. CHU, M. B. BLACK, E. HEALY, B. ALLEN, M. E. ANDERSEN, R. D. WOLFINGER, AND R. S. THOMAS. Relative Impact of Incorporating Pharmacokinetics on Predicting In Vivo Hazard and Mode of Action from High-Throughput In Vitro Toxicity Assays . TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 132(2):327-346, (2013).