Science Inventory

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Saili, K., J. Franzosa, N. Baker, R. Ellis-Hutchings, R. Settivari, E. Carney, R. Spencer, T. Zurlinden, N. Kleinstreuer, S. Li, M. Xia, AND T. Knudsen. Systems Modeling of Developmental Vascular Toxicity. Current Opinion in Toxicology. Elsevier BV, AMSTERDAM, Netherlands, 15(1):55-63, (2019). https://doi.org/10.1016/j.cotox.2019.04.004

Xia, M., R. Huang, Q. Shi, W. Boyd, J. Zhao, N. Sun, J. Rice, P. Dunlap, A. Hackstadt, M. Bridge, M. Smith, S. Dai, W. Zheng, P. Chu, D. Gerhold, K. Witt, M. DeVito, J. Freeman, C. Austin, K. Houck, R. Thomas, R. Paules, R. Tice, AND A. Simeonov. Comprehensive analyses and prioritization of Tox21 10K chemicals affecting mitochondrial function by in-depth mechanistic studies. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 126(7):1-16, (2018). https://doi.org/10.1289/EHP2589

Mahapatra, D., Jill A. Franzosa, K. Roell, M. Kuenemann, Keith A. Houck, D. Reif, D. Fourches, AND S. Kullman. Confirmation of High-Throughput screening data and novel mechanistic insights into VDR-xenobiotic interactions by orthogonal assays. Scientific Reports. Nature Publishing Group, London, Uk, 8(8883):1-16, (2018). https://doi.org/10.1038/s41598-018-27055-3

Kleinstreuer, N., P. Browne, X. Chang, R. Judson, W. Casey, P. Ceger, C. Deisenroth, N. Baker, K. Markey, AND R. Thomas. Evaluation of Androgen Assay Results Using a Curated Hershberger Database. REPRODUCTIVE TOXICOLOGY. Elsevier Science Ltd, New York, NY, 81:272-280, (2018). https://doi.org/10.1016/j.reprotox.2018.08.017

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

Sobus, J., J. Wambaugh, K. Isaacs, A. Williams, A. McEachran, A. Richard, Chris Grulke, E. Ulrich, J. Rager, M. Strynar, AND S. Newton. Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 28:411-426, (2018). https://doi.org/10.1038/s41370-017-0012-y

Watford, S., R. Grashow, V. De La Rosa, R. Rudel, K. Paul-Friedman, AND M. Martin. Novel application of normalized pointwise mutual information (NPMI) to mine biomedical literature for gene sets associated with disease: Use case in breast carcinogenesis. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 7:46-57, (2018). https://doi.org/10.1016/j.comtox.2018.06.003

Newton, S., R. McMahen, J. Sobus, K. Mansouri, A. Williams, A. McEachran, AND M. Strynar. Suspect Screening and Non-Targeted Analysis of Drinking Water Using Point-Of-Use Filters. ENVIRONMENTAL POLLUTION. Elsevier Science Ltd, New York, NY, 234:297-306, (2018).

Zang, Q., K. Mansouri, A. Williams, R. Judson, D. Allen, W. Casey, AND N. Kleinstreuer. In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 57(1):36-49, (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).

Saili, K., T. Zurlinden, A. Schwab, A. Silvin, N. Baker, S. Hunter, F. Ginhoux, AND T. Knudsen. Blood-Brain Barrier Development: Systems Modeling and Predictive Toxicology. Birth Defects Research, Part C: Embryo Today: Reviews. John Wiley & Sons, Ltd., Indianapolis, IN, 109(20):1680-1710, (2017). https://doi.org/10.1002/bdr2.1180

Kleinstreuer, N., P. Ceger, Eric Watt, M. Martin, K. Houck, P. Browne, R. Thomas, W. Casey, D. Dix, D. Allen, S. Sakamuru, M. Xia, R. Huang, AND R. Judson. Development and Validation of a Computational Model for Androgen Receptor Activity. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 30(4):946-964, (2017).

Song, Y., Dan Villeneuve, K. Toyota, T. Iguchi, AND K. Tollefsen. Ecdysone receptor agonism leading to lethal molting disruption in arthropods: Review and adverse outcome pathway development. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 51(8):4142-4157, (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).

Phillips, K., J. Wambaugh, Chris Grulke, K. Dionisio, AND K. Isaacs. High-throughput screening of chemicals as functional substitutes using structure-based classification models. GREEN CHEMISTRY. Royal Society of Chemistry, Cambridge, Uk, 19:1063-1074, (2017).

Lynch, C., S. Sakamuru, R. Huang, D. Stavea, L. Varticovski, G. Hager, Richard S. Judson, Keith A. Houck, N. Kleinstreuer, W. Casey, R. Paules, A. Simeonov, AND M. Xia. Identifying Environmental Chemicals as Agonists of the Androgen Receptor by Applying a Quantitative High-throughput Screening Platform. TOXICOLOGY. Elsevier Science Ltd, New York, NY, 385:48-58, (2017).

Judson, R., K. Houck, M. Martin, A. Richard, T. Knudsen, I. Shah, S. Little, J. Wambaugh, Woodrow Setzer, P. Kothiya, J. Phuong, D. Filer, D. Smith, D. Reif, D. Rotroff, N. Kleinstreuer, N. Sipes, M. Xia, R. Huang, K. Crofton, AND R. Thomas. Analysis of the Effects of Cell Stress and Cytotoxicity on In Vitro Assay Activity Across a Diverse Chemical and Assay Space. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 152(2):323-339, (2016).

Schroeder, A., G. Ankley, K. Houck, AND Dan Villeneuve. Environmental surveillance and monitoring. The next frontiers for high-throughput toxicology. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, 35(3):513-525, (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).

Vanduyn, N., B. Chorley, R. Tice, R. Judson, AND C. Corton. Moving Toward Integrating Gene Expression Profiling into High-throughput Testing:A Gene Expression Biomarker Accurately Predicts Estrogen Receptor α Modulation in a Microarray Compendium. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 151(1):88-103, (2016).

Richard, A., R. Judson, K. Houck, C. Grulke, P. Volarath, I. Thillainadarajah, C. Yang, J. Rathman, M. Martin, J. Wambaugh, T. Knudsen, K. Mansouri, J. Kancherla, G. Tier, A. Williams, S. Little, K. Crofton, AND R. Thomas. The ToxCast Chemical Landscape - Paving the Road to 21st Century Toxicology. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 29(8):1225-1251, (2016).

Yang, C., A. Tarkhov, J. Marusczyk1, B. Bienfait, J. Gasteiger, T. Kleinoeder, T. Magdziarz, O. Sacher, C. Schwab, J. Schwoebel, L. Terfloth, K. Arvidson, A. Richard, A. Worth, AND J. Rathman. A New Publicly Available Chemical Query Language, CSRML, to support Chemotype Representations for Application to Data-Mining and Modeling. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 55(3):510-528, (2015).

Baghdikian, C. AND A. Karmaus. High-Throughput Toxicity Testing: New Strategies for Assessing Chemical Safety. Food Safety Magazine. The Target Group, Inc., Glendale, CA, (Dec./Jan.):1-2, (2016).

Attene-Ramos, M., R. Huang, S. Michael, K. Witt, A. Richard, R. Tice, A. Simeonov, C. Austin, AND M. Xia. Profiling of the Tox21 Chemical Collection for Mitochondrial Function: I. Compounds that Decrease Mitochondrial Membrane Potential. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 123(1):49-56, (2015).

Pastoor, T., A. Bachman, D. Bell, S. Cohen, M. Dellarco, I. Dewhurst, J. Doe, N. Doerrer, M. Embry, R. Hines, A. Moretto, R. Phillips, J. Rowlands, J. Tanir, D. Wolf, AND A. Boobis. A 21st Century Roadmap for Human Health Risk Assessment. CRITICAL REVIEWS IN TOXICOLOGY. CRC Press LLC, Boca Raton, FL, 44(S3):1-5, (2014).