Office of Research and Development Publications

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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

Pradeep, P., G. Patlewicz, R. Pearce, J. Wambaugh, B. Wetmore, AND R. Judson. Using Chemical Structure Information to Develop Predictive Models for In Vitro Toxicokinetic Parameters to Inform High-throughput Risk-assessment. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 16:100136, (2020). https://doi.org/10.1016/j.comtox.2020.100136

Krewski, D., M. Andersen, M. Tyshenko, K. Krishnan, T. Hartung, K. Boekelheide, J. Wambaugh, D. Jones, M. Whelan, R. Thomas, C. Yauk, T. Barton-Maclaren, AND I. Cote. (Archives of Toxicology) Toxicity Testing in the 21st Century: Progress in the Past Decade and Future Perspectives. Archives of Toxicology. Springer, New York, NY, 94(1):1-58, (2020). https://doi.org/10.1007/s00204-019-02613-4

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

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

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

Honda, G., R. Pearce, L. Pham, R. Setzer, B. Wetmore, N. Sipes, J. Gilbert, B. Franz, R. Thomas, AND J. Wambaugh. Using the Concordance of In Vitro and In Vivo Data to Evaluate Extrapolation Assumptions. PLOS ONE . Public Library of Science, San Francisco, CA, 14(5):1-33, (2019). https://doi.org/10.1371/journal.pone.0217564

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

Ellison, C., K. Blackburn, P. Carmichael, H. Clewell, M. Cronin, B. Desprez, S. Escher, S. Fergusson, S. Gregoire, N. Hewitt, H. Hollnagel, M. Klaric, A. Patel, S. Salhi, A. Schepky, B. Schmitt, J. Wambaugh, AND A. Worth. Challenges in working towards an internal Threshold of Toxicological Concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 103(1):63-72, (2019). https://doi.org/10.1016/j.yrtph.2019.01.016

Wambaugh, J. Comment on: Dong et al. (2017) “Issues raised by the reference doses for perfluorooctonate sulfonate and perfluorooctanoic acid.”. ENVIRONMENT INTERNATIONAL. Elsevier B.V., Amsterdam, Netherlands, 121(2):1372-1374, (2018). https://doi.org/10.1016/j.envint.2018.10.048

Patlewicz, G., J. Wambaugh, S. Felter, T. Simon, AND R. Becker. Utilizing Threshold of Toxicological Concern (TTC) with High Throughput Exposure Predictions (HTE) as a Risk-Based Prioritization Approach for thousands of chemicals. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 7:58-67, (2018). https://doi.org/10.1016/j.comtox.2018.07.002

Bell, S., X. Chang, J. Wambaugh, D. Allen, M. Bartels, K. Brouwer, W. Casey, N. Choksi, S. Ferguson, G. Fraczkiewicz, A. Jarabek, A. Ke, A. Lumen, S. Lynn, A. Paini, Paul S Price, C. Ring, T. Simon, N. Sipes, C. Sprankle, J. Strickland, J. Troutman, B. Wetmore, AND N. Kleinstreuer. In vitro to in vivo extrapolation for high throughput prioritization and decision making. TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, 47:213-227, (2018). https://doi.org/10.1016/j.tiv.2017.11.016

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

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

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

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).

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

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).

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).

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).

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).

Williams, A., Chris Grulke, J. Edwards, A. McEachran, K. Mansouri, N. Baker, G. Patlewicz, I. Shah, J. Wambaugh, R. Judson, AND A. Richard. The CompTox Chemistry Dashboard - A Community Data Resource for Environmental Chemistry. Journal of Cheminformatics. Springer, New York, NY, 9(61):1-27, (2017).

Sluka, J., X. Fu, M. Swat, J. Belmonte, A. Cosmanescu, S. Clendenon, J. Wambaugh, AND J. Glazier. A Liver-centric Multiscale Modeling Framework for Xenobiotics. PLOS ONE . Public Library of Science, San Francisco, CA, , 1-40, (2016).

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).