Science Inventory

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Richard, A., Chris Grulke, I. Thillainadarajah, A. Williams, D. Lyons, AND J. Edwards. Expansion of DSSTox: Leveraging public data to create a semantic cheminformatics resource with quality annotations for support of U.S. EPA applications. (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058472

Wambaugh, J., A. Yau, A. Gregg, A. Sumner, K. Favela, D. Biryol, P. Egeghy, Chris Grulke, K. Isaacs, X. Liu, K. Mansouri, C. Nicolas, K. Phillips, A. Richard, C. Ring, Woodrow Setzer, J. Sobus, A. Williams, AND R. Thomas. New Data from EPA's Exposure Forecasting (ExpoCast) Project (ISES meeting). Presented at International Society of Exposure Science (ISES) Annual Meeting, Utrecht, NETHERLANDS, October 09 - 13, 2016. https://doi.org/10.23645/epacomptox.5056792

Shah, I., M. Martin, Chris Grulke, L. Pham, J. Liu, A. Williams, G. Patlewicz, AND R. Thomas. Predictive Models of target organ and Systemic toxicities (BOSC). Presented at CSS BOSC Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5180278

Wambaugh, J., A. Yau, K. Phillips, K. Favela, C. Nicolas, D. Biryol, Chris Grulke, A. Richard, Paul S Price, K. Isaacs, AND R. Thomas. Product Deformulation to Inform High-throughput Exposure Predictions (SOT). Presented at Society of Toxicology, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5176402

Phillips, K., J. Wambaugh, P. Egeghy, C. Grulke, AND K. Isaacs. Quantitative structure-property relationships for chemical functional use and weight fractions in consumer articles. Society of Toxicology Annual Meeting, New Orleans, LA, March 13 - 17, 2016.

Judson, R., A. Williams, I. Shah, G. Patlewicz, Eric Watt, P. Pradeep, S. Chavan, J. Edwards, A. Richard, Chris Grulke, M. Martin, K. Mansouri, D. Smith, J. Smith, J. Vail, J. Lambert, S. Wesselkamper, AND R. Thomas. RapidTox - Tools for Rapid Risk Assessments (BOSC). Presented at BOSC Css Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5181097

Williams, A., J. Sobus, M. Strynar, E. Ulrich, Chris Grulke, J. Edwards, J. Smith, J. Foster, AND D. Lyons. Structure Identification Using High Resolution Mass Spectrometry Data and the EPAs Chemistry Dashboard (ACS Fall meeting). Presented at ACS Fall Meeting, Philadelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5063230

Williams, A., Chris Grulke, J. Smith, K. Mansouri, A. McEachran, A. Richard, J. Edwards, J. Sobus, K. Dionisio, K. Phillips, AND T. Martin. The EPA Comptox Chemistry Dashboard . (BOSC). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5179072

Williams, A., Chris Grulke, K. Mansouri, J. Smith, J. Foster, M. Krzyzanowski, AND J. Edwards. The EPA Online Database of Experimental and Predicted Data to Support Environmental Scientists (ACS Fall meeting). To be Presented at ACS Fall Meeting, Philadelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5181532

Williams, A., A. McEachran, J. Sobus, Chris Grulke, J. Smith, M. Krzyzanowski, J. Foster, AND J. Edwards. The EPA iCSS Chemistry Dashboard to Support Compound Identification Using High Resolution Mass Spectrometry Data (ACS Fall meeting). Presented at ACS Fall Meeting, Philadelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5063218

Mansouri, K., Chris Grulke, A. Richard, R. Judson, AND A. Williams. The importance of data curation on QSAR Modeling - PHYSPROP open data as a case study. (QSAR 2016). Presented at QSAR 2016, Miami, Fl, June 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5071291

Mansouri, K., Chris Grulke, A. Richard, AND A. Williams. The influence of data curation on QSAR Modeling - examining issues of quality versus quantity of data (American Chemical Society). Presented at American Chemical Society, San Diego, CA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058481

Williams, A., K. Mansouri, A. Richard, AND Chris Grulke. The influence of data curation on QSAR Modeling – examining issues of quality versus quantity of data (SOT). Presented at Society of Toxicology, New Orleans, LA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5176573

Williams, A., K. Mansouri, Chris Grulke, AND A. Richard. The needs for chemistry standards, database tools and data curation at the chemical-biology interface (SLAS meeting). Presented at SLAS 2016, San Diego, CA, January 23 - 27, 2016. https://doi.org/10.23645/epacomptox.5063233

Baker, N., N. Sipes, Chris Grulke, R. Judson, AND T. Knudsen. Causal Inferences from Mining ToxCast Data and the Biomedical Literature for Molecular Pathways and Cellular Processes in Cleft Palate (SOT). Presented at SOT Annual Meeting, San Diego, CA, March 22 - 26, 2015. https://doi.org/10.23645/epacomptox.5178751

Baker, N., N. Sipes, C. Grulke, M. Leung, J. A, B. Abbott, R. Judson, AND T. Knudsen. Chemical and HTS Profiling of 63 Cleft Palate Teratogens from ToxCast (FutureTox III). Presented at FutureTox III, Arlington, VA, November 19 - 20, 2015. https://doi.org/10.23645/epacomptox.5189362

Lu, J., M. Goldsmith, Chris Grulke, J. Leonard, E. Hypes, M. Fair, R. Tornero-Velez, AND C. Tan. Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction - poster. ASCCT Annual Meeting, EPA RTP Campus, Durham (RTP), NC, October 01 - 02, 2015.

Richard, A., Chris Grulke, I. Thillainadarajah, K. Mansouri, J. Kancherla, R. Judson, AND A. Williams. EPAs DSSTox Chemical Database: A Resource for the Non-Targeted Testing Community (EPA NTA workshop). Presented at Advancing Non-targeted Analyses of Xenobiotics in Environmental and Biological Media, RTP, NC, August 18 - 19, 2015. https://doi.org/10.23645/epacomptox.5077765

Brown, K., M. Phillips, C. Grulke, M. Yoon, B. Young, R. McDougall, J. Leonard, J. Lu, W. Lefew, AND C. Tan. Reconstructing Exposures from Biomarkers using Exposure-Pharmacokinetic Modeling - A Case Study with Carbaryl. REGULATORY TOXICOLOGY AND PHARMACOLOGY. Elsevier Science Ltd, New York, NY, 73(3):689-698, (2015).

Tan, C., D. Chang, M. Phillips, S. Edwards, Chris Grulke, Rocky Goldsmith, J. Sobus, R. Conolly, R. Tornero-Velez, AND C. Dary. Biomarkers in Computational Toxicology. Chapter 63, Biomarkers in Toxicology. Elsevier, Shannon, Ireland, , 1039-1055, (2014).

Barron, M., T. Martin, Chris Grulke, D. Young, C. Russom, N. Wang, AND CrystalR Jackson. Computational Chemistry-based Acute Aquatic Toxicity Mode of Action Assignment. SETAC North America 35th Annual Meeting, Vancouver, British Columbia, CANADA, November 09 - 13, 2014.

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).

Goldsmith, M., C. Grulke, D. Chang, T. Transue, S. Little, J. Rabinowitz, AND R. Tornero-Velez. DockScreen: A database of in silico biomolecular interactions to support computational toxicology. Dataset Papers in Science. Hindawi Publishing Corporation, New York, NY, 2014:1-5, (2014).

Goldsmith, M., D. Vallero, P. Egeghy, D. Chang, Chris Grulke, C. Tan, AND J. Wambaugh. Ex Priori: Exposure-based Prioritization across Chemical Space. Presented at ISES 2014, Cincinnati, OH, October 12 - 16, 2014.

Holm, K., Rocky Goldsmith, D. Chang, Chris Grulke, M. Phillips, C. Tan, AND R. Tornero-Velez. Identification and Prioritization of Chemical Mixtures from Environmental Residue Data. Presented at SOT Annual Meeting, Phoenix, AZ, March 23 - 27, 2014.