Science Inventory

<< Previous

Next >>

Tkachenko, V., Chris Grulke, AND A. Williams. Need and Benefits for Structure Standardization to facilitate integration and connectivity between government databases. ACS Fall Meeting, Washington,DC, August 20 - 24, 2017. https://doi.org/10.23645/epacomptox.6822788

Mansouri, K., Chris Grulke, R. Judson, AND A. Williams. OPERA: A QSAR tool for physicochemical properties and environmental fate predictions (ACS Spring meeting). Presented at ACS Spring meeting, San Francisco, California, April 02 - 06, 2017.

Isaacs, K., J. Wambaugh, K. Dionisio, Chris Grulke, AND K. Phillips. Prediction of Chemical Function: Model Development and Application. Society of Toxicology 2017 Annual Meeting, Baltimore, MD, March 12 - 16, 2017.

Williams, A., Chris Grulke, J. Smith, R. Jolley, J. Dunne, E. Edmiston, AND J. Edwards. Public Access to Environmental Chemistry Data via the CompTox Chemistry Dashboard (ACS Fall Meeting 6 of 12). Presented at 2017 ACS Fall Meeting, Washington, DC, August 20 - 24, 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

Phillips, M., J. Leonard, Chris Grulke, D. Chang, S. Edwards, R. Brooks, M. Goldsmith, H. El-Masri, AND C. Tan. A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 124(1):53-60, (2016).

Lu, J., M. Goldsmith, Chris Grulke, D. Chang, J. Leonard, E. Hypes, AND C. Tan. A comprehensive physiologically based pharmacokinetic knowledgebase and web-based interface for rapid model ranking and querying. Society of Toxicology 55th Annual Meeting and ToxExpo, New Orleans, LA, March 13 - 17, 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

Wetmore, B., J. Wambaugh, K. Isaacs, R. Tornero-Velez, R. Thomas, J. Simmons, Woodrow Setzer, R. Sayre, R. Pearce, D. Kapraun, B. Ingle, M. Hughes, Chris Grulke, M. Ecklund, M. Evans, AND Lindad Adams. Evaluating and Refining High Throughput Tools for Toxicokinetics. CSS BoSC Meeting, RTP, NC, November 16 - 18, 2016.