Office of Research and Development Publications

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Harrill, J., I. Shah, R. Setzer, D. Haggard, S. Auerbach, R. Judson, AND R. Thomas. Considerations for Strategic Use of High-Throughput Transcriptomics Chemical Screening Data in Regulatory Decisions. Current Opinion in Toxicology. Elsevier BV, AMSTERDAM, Netherlands, 15:64-75, (2019). https://doi.org/10.1016/j.cotox.2019.05.004

Haggard, D., Woodrow Setzer, R. Judson, AND K. Friedman. Development of a prioritization method for chemical-mediated effects on steroidogenesis using an integrated statistical analysis of high-throughput H295R data. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 109:104510, (2019). https://doi.org/10.1016/j.yrtph.2019.104510

Manganelli, S., A. Roncaglioni, K. Mansouri, R. Judson, E. Benfenati, A. Manganaro, AND P. Ruiz. Development, validation and integration of in silico models to identify androgen active chemicals. CHEMOSPHERE. Elsevier Science Ltd, New York, NY, 220:204-215, (2019). https://doi.org/10.1016/j.chemosphere.2018.12.131

Grulke, C., A. Williams, I. Thillainadarajah, AND A. Richard. EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 12:100096, (2019). https://doi.org/10.1016/j.comtox.2019.100096

Sheffield, T. AND R. Judson. Ensemble QSAR Modeling to Predict Multispecies Fish Toxicity Lethal Concentrations and Points of Departure. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 53(21):12793-12802, (2019). https://doi.org/10.1021/acs.est.9b03957

Nelms, M., P. Pradeep, AND G. Patlewicz. Evaluating potential refinements to existing Thresholds of Toxicological Concern (TTC) values for environmentally-relevant compounds. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 109:104505, (2019). https://doi.org/10.1016/j.yrtph.2019.104505

Helman, G., I. Shah, A. Williams, J. Edwards, J. Dunne, AND G. Patlewicz. Generalised Read-Across (GenRA): A workflow implemented into the EPA CompTox Chemicals Dashboard. ALTEX. Society ALTEX Edition, Kuesnacht, Switzerland, 36(1):1-5, (2019). https://doi.org/10.14573/altex.1811292

Gannon, A., M. Moreau, R. Farmahin, R. Thomas, T. Barton-Maclaren, A. Nong, I. Curran, AND C. Yauk. Hexabromocyclododecane (HBCD): A case study applying tiered testing for human health risk assessment. FOOD AND CHEMICAL TOXICOLOGY. Elsevier Science Ltd, New York, NY, 131:110581, (2019). https://doi.org/10.1016/j.fct.2019.110581

Wei, Z., S. Sakamuru, L. Zhang, J. Zhao, R. Huang, N. Kleinstreuer, Y. Chen, Y. Shu, T. Knudsen, AND M. Xia. Identification and profiling of environmental chemicals that inhibit the TGFβ/SMAD signaling pathway. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 32(12):2433-2444, (2019). https://doi.org/10.1021/acs.chemrestox.9b00228

Paul-Friedman, K., M. Martin, K. Crofton, C. Hsu, S. Sakamuru, J. Zhao, M. Xia, R. Huang, D. Stevreva, V. Soni, L. Varticovski, R. Raziuddin, G. Hager, AND K. Houck. Limited chemical structural diversity found to modulate thyroid hormone receptor in the Tox21 chemical library. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 127(9):1-16, (2019). https://doi.org/10.1289/EHP5314

Paini, A., J. Leonard, E. Joossens, J. Bessems, A. Desalegn, J. Dorne, J. Gosling, M. Heringa, M. Klaric, T. Kliment, N. Kramer, G. Loizou, J. Louisse, A. Lumen, J. Madden, E. Patterson, S. Proença, A. Punt, Woodrow Setzer, N. Suciu, J. Troutman, M. Yoon, A. Worth, AND C. Tan. Next generation physiologically based kinetic (NG-PBK) models in support of regulatory decision making. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 9:61-72, (2019). https://doi.org/10.1016/j.comtox.2018.11.002

Mansouri, K., N. Cariello, A. Korotcov, V. Tkachenko, C. Grulke, C. Sprankle, D. Allen, W. Casey, N. Kleinstreuer, AND A. Williams. Open‑source QSAR models for pKa prediction using multiple machine learning approaches. Journal of Cheminformatics. Springer, New York, NY, 11(60):1-20, (2019). https://doi.org/10.1186/s13321-019-0384-1

Watford, S., S. Edwards, M. Angrish, R. Judson, AND K. Friedman. Progress in data interoperability to support computational toxicology and chemical safety evaluation. TOXICOLOGY AND APPLIED PHARMACOLOGY. Academic Press Incorporated, Orlando, FL, 380(1 October 2019):114707, (2019). https://doi.org/10.1016/j.taap.2019.114707

Helman, G., G. Patlewicz, AND I. Shah. Quantitative Prediction of Repeat Dose Toxicity Values using GenRA. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 109:104480, (2019). https://doi.org/10.1016/j.yrtph.2019.104480

Ruttkies, C., E. Schymanski, N. Strehmel, J. Hollender, S. Neumann, A. Williams, AND M. Krauss. Supporting Non-Target Identification by Adding Hydrogen Deuterium Exchange MS/MS Capabilities to MetFrag. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 411(19):4683, (4700). https://doi.org/10.1007/s00216-019-01885-0

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

Watford, S., L. Pham, J. Wignall, R. Shin, M. Martin, AND K. Friedman. ToxRefDB version 2.0: Improved utility for predictive and retrospective toxicology analyses. REPRODUCTIVE TOXICOLOGY. Elsevier Science Ltd, New York, NY, 89:145-158, (2019). https://doi.org/10.1016/j.reprotox.2019.07.012

Helman, G., I. Shah, AND G. Patlewicz. Transitioning the Generalised Read-Across approach (GenRA) to quantitative predictions: A case study using acute oral toxicity data. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 12(November 2019):100097, (2019). https://doi.org/10.1016/j.comtox.2019.100097

Li, S., J. Zhao, R. Huang, M. Santillo, K. Houck, AND M. Xia. Use of high-throughput enzyme-based assay with xenobiotic metabolic capability to evaluate the inhibition of acetylcholinesterase activity by organophosphorous pesticides. TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, 56:93-100, (2019). https://doi.org/10.1016/j.tiv.2019.01.002

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

Judson, R., R. Thomas, N. Baker, A. Simha, X. Howey, C. Marable, N. Kleinstreuer, AND K. Houck. Workflow for Defining Reference Chemicals for Assessing Performance of In Vitro Assays. ALTEX. Society ALTEX Edition, Kuesnacht, Switzerland, 36(2):261-276, (2019). https://doi.org/10.14573/altex.1809281

McEachran, A., K. Mansouri, S. Newton, B. Beverly, J. Sobus, AND A. Williams. A comparison of three liquid chromatography (LC) retention time prediction models. TALANTA. Elsevier Science Ltd, New York, NY, 182:371-379, (2018). https://doi.org/10.1016/j.talanta.2018.01.022

Fitzpatrick, J., D. Roberts, AND G. Patlewicz. An evaluation of selected (Q)SARs/expert systems for predicting skin sensitisation potential. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 29(6):439-468, (2018). https://doi.org/10.1080/1062936X.2018.1455223

Baker, N., A. Boobis, L. Burgoon, E. Carney, R. Currie, E. Fritsche, T. Knudsen, M. Laffont, A. Piersma, A. Poole, S. Schneider, AND G. Daston. Building a Developmental Toxicity Ontology. BIRTH DEFECTS RESEARCH PART B: DEVELOPMENTAL AND REPRODUCTIVE TOXICOLOGY. John Wiley & Sons, Ltd., Indianapolis, IN, 110(6):502-518, (2018). https://doi.org/10.1002/bdr2.1189

Stapleton, P., C. Wingard, T. Nurkiewicz, A. Holloway, J. Zelikoff, T. Knudsen, AND L. Rogers. Cardiopulmonary consequences of gestational toxicant exposure: symposium overview at the 56th Annual SOT Meeting, Baltimore, MD. REPRODUCTIVE TOXICOLOGY. Elsevier Science Ltd, New York, NY, 79(1):16-20, (2018). https://doi.org/10.1016/j.reprotox.2018.04.016