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Records 26 to 50 of 61 records from [ORD-NCCT] published between 03/18/2013 and 03/18/2018 from author Christopher Grulke

2017
Williams, A., T. Martin, V. Tkachenko, Chris Grulke, AND K. Mansouri. Real-time prediction of Physicochemical and Toxicological Endpoints Using the Web-based CompTox Chemistry Dashboard (ACS Fall meeting) 10 of 12. Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
McEachran, A., J. Grossman, S. Newton, K. Isaacs, K. Phillips, N. Baker, J. Sobus, Chris Grulke, AND A. Williams. Structure identification for Non-Targeted Analytical Chemistry using the US EPA’s CompTox Chemistry Dashboard (ACS 2017 Fall meeting 3 of 3). 254th American Chemical Society National Meeting, Washington, DC, August 20 - 24, 2017.
Williams, A., K. Mansouri, V. Tkachenko, K. Blinov, AND Chris Grulke. The Benefits of Making Data from the EPA National Center for Computational Toxicology available for reuse (ACS Fall meeting 3 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 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).
Frame, Alicia, A. Williams, R. Judson, A. Mageid, G. Patlewicz, I. Shah, J. Wambaugh, J. Smith, K. Mansouri, Chris Grulke, AND J. Edwards. The CompTox Dashboard & Emerging Contaminants in the Superfund Program. Presented at ACS Fall Meeting, Washington,DC, August 20 - 24, 2017. https://doi.org/10.23645/epacomptox.6807212
Williams, A., Chris Grulke, J. Smith, K. Mansouri, A. McEachran, G. Patlewicz, J. Fitzpatrick, A. Richard, AND J. Edwards. The EPA CompTox Chemistry Dashboard - an online resource for environmental chemists (ACS Spring Meeting). Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017.
Williams, A., Chris Grulke, D. Chang, K. Markey, AND J. Edwards. The EPA CompTox Dashboard and Underpinning Software Architecture – a platform for data integration for environmental chemistry data (ACS Fall Meeting 7 of 12). Presented at ACS Fall Meeting, Washington, DC, August 20 - 24, 2017.
Williams, A., Chris Grulke, K. Mansouri, J. Smith, J. Fitzpatrick, G. Patlewicz, I. Shah, A. Richard, AND J. Edwards. The EPA Comptox Chemistry Dashboard: A Web-Based Data Integration Hub for Toxicology Data (SOT). Presented at SOT Nat. Meeting, Baltimore, MD, March 12 - 16, 2017. https://doi.org/10.23645/epacomptox.5176750
Richard, A., Chris Grulke, G. Patlewicz, C. Yang, AND A. Williams. Use of Chemotypes for Profiling and Exploring the ToxCast Chemical-Assay Landscape (ACS Spring meeting). Presented at ACS Spring Meeting, San Francisco, CA, April 02 - 06, 2017. https://doi.org/10.23645/epacomptox.5057953
Grulke, C., I. Thillainadarajah, R. Sayre, K. Mansouri, A. Williams, AND A. Richard. Using semi-automated curation workflows to collect, organize, and curate the data and models necessary to support the EPA CompTox chemical dashboard (ACS Spring meeting). Presented at ACS Spring meeting, San Fransisco, CA, April 01 - 06, 2017. https://doi.org/10.23645/epacomptox.5057974
McEachran, A., J. Grossman, S. Newton, K. Isaacs, K. Phillips, N. Baker, Chris Grulke, J. Sobus, AND A. Williams. Using the US EPA’s CompTox Chemistry Dashboard to advance non-targeted analysis and exposure research. Presented at ISES 27th Annual Meeting, Research Triangle Park, NC, October 15 - 19, 2017. https://doi.org/10.23645/epacomptox.6807404
2016
Richard, A., Chris Grulke, K. Mansouri, R. Judson, AND A. Williams. An Online Prediction Platform to Support the Environmental Sciences (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016.
Mansouri, K., Chris Grulke, A. Richard, R. Judson, AND A. Williams. An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modeling. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, 27(11):911-937, (2016).
Mansouri, K., A. Abdelaziz, A. Rybacka, A. Roncaglioni, A. Tropsha, A. Varnek, A. Zakharov, A. Worth, A. Richard, Chris Grulke, D. Trisciuzzi, D. Fourches, D. Horvath, E. Benfenati, E. Muratov, E. Wedebye, F. Grisoni, G. Mangiatordi, G. Incisivo, H. Hong, H. Ng, I. Tetko, I. Balabin, J. Kancherla, J. Shen, J. Burton, M. Nicklaus, M. Cassotti, N. Nikolov, O. Nicolotti, P. Andersson, Q. Zang, R. Politi, R. Beger, R. Todeschini, R. Huang, S. Farag, S. Rosenberg, S. Slavov, X. Hu, AND R. Judson. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(7):1023-1033, (2016).
Richard, A., G. Patlewicz, J. Fitzpatrick, Chris Grulke, I. Thillainadarajah, AND A. Williams. Cheminformatics and Data Mining Approaches for Exploring the Alternatives Testing Landscsape: Case Studies in ToxCast and Skin Sensitization (BOSC CSS). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5179060
Williams, A., K. Mansouri, T. Martin, Christopher M. Grulke, John F. Wambaugh, R. Judson, A. Richard, G. Patlewicz, AND I. Shah. Data Aggregation, Curation and Modeling Approaches to Deliver Prediction Models to Support Computational Toxicology at the EPA (ACS Fall meeting). Presented at ACS Fall Meeting, Phildelphia, PA, August 21 - 25, 2016.
Williams, A., K. Mansouri, T. Martin, Chris Grulke, J. Wambaugh, R. Judson, G. Patlewicz, I. Shah, AND A. Richard. Delivering The Benefits of Chemical-Biological Integration in Computational Toxicology at the EPA (ACS Fall meeting). Presented at ACS Fall Meeting, Phildelphia, PA, August 21 - 25, 2016. https://doi.org/10.23645/epacomptox.5058490
Williams, A., A. McEachran, J. Sobus, S. Newton, E. Ulrich, Chris Grulke, K. Mansouri, J. Smith, AND J. Edwards. Environmental Chemistry Compound Identification Using High Resolution Mass Spectrometry Data Integrated to the EPA Chemistry Dashboard (EAS). Presented at EAS, Somerset, NJ, November 14 - 16, 2016. https://doi.org/10.23645/epacomptox.5056390
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
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