Science Inventory

<< Previous

Next >>

Lougee, R., G. Patlewicz, Chris Grulke, A. Williams, C. Yany, J. Rathman, T. Magdziarz, AND A. Richard. PFAS Toxprints: A Hierarchical Structure-Based Categorization Method for Characterization of Per- and Polyfluoroalkyl Substances. American Chemical Society Fall 2020 Meeting (Virtual), San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12834329

Lowe, C., K. Isaacs, Chris Grulke, J. Sobus, E. Ulrich, A. Chao, AND A. Williams. Predicting Chromatography-tandem Mass Spectrometry Amenability to Improve Non-targeted Analysis (ACS Fall 2020). American Chemical Society Fall meeting, San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12988733

Lowe, C., K. Isaacs, Chris Grulke, J. Sobus, E. Ulrich, A. Chao, AND A. Williams. Predicting Chromatography-tandem Mass Spectrometry Amenability to Improve Non-targeted Analysis (Pacifichem). Pacifichem 2020 Conference (Pacific Basin Chemical Societies), Honolulu, Hawaii, December 15 - 20, 2020.

McEachran, A., A. Chao, H. Al-Ghoul, C. Lowe, Chris Grulke, J. Sobus, AND A. Williams. Revisiting Five Years of CASMI Contests with EPA Identification Tools. Metabolites. MDPI, Basel, Switzerland, 10(6):260, (2020). https://doi.org/10.3390/metabo10060260

Wambaugh, J., K. Isaacs, K. Phillips, B. Wetmore, R. Sayre, A. Williams, Chris Grulke, A. Chao, J. Sobus, A. Yau, AND K. Favela. The Exposome and the Public: Toxicity and Exposure Models. ASMS Unraveling the Exposome, Captiva Island, Florida, January 23 - 26, 2020. https://doi.org/10.23645/epacomptox.11744007

Grulke, Chris, A. Jacobs, A. Richard, AND A. Williams. The limitations of the InChI and InChIKey for substance databases. ACS, San Francisco, California, August 16 - 20, 2020.

Williams, A., C. Grulke, K. Mansouri, T. Martin, I. Shah, AND G. Patlewicz. US-EPA CompTox Chemicals Dashboard providing access to QSAR predictions (QSAR2020). International Workshop on (Quantitative) Structure-Activity Relationships in Environmental and Health Sciences (QSAR2020), Durham, NC, June 08 - 11, 2020.

Williams, A., C. Lowe, Chris Grulke, AND J. Sobus. What chemicals constitute the Exposome? Accessing Data via the US EPA’s CompTox Chemicals Dashboard. International Society of Exposure Science (ISES) Virtual Symposium, RTP, NC, September 21 - 22, 2020. https://doi.org/10.23645/epacomptox.13198376

Williams, A., C. Grulke, K. Mansouri, AND T. Martin. 20190825 - CompTox Chemicals Dashboard providing access to experimental and predicted environmental fate and transport data (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9894101

Grulke, C., A. Richard, AND A. Williams. 20190825 - Crafting Persistent Identifiers and Structure-based Representations in DSSTox as Surrogates for Chemical Names (ACS Fall 2 of 3). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9772316

Williams, A., C. Grulke, A. Richard, R. Judson, G. Patlewicz, I. Shah, J. Wambaugh, K. Friedman, J. Dunne, AND J. Edwards. 20190825 - Delivering Web-based Access to data and Algorithms to Support Computational Toxicology: US EPA CompTox Chemicals Dashboard (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9773705

Williams, A., C. Grulke, K. Mansouri, G. Patlewicz, AND A. Richard. 20190825 - Delivering an integrated data hub for per- and polyfluoroalkyl (PFAS) chemicals via the US EPA CompTox Chemicals Dashboard (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9820241

Grulke, C., A. Williams, A. Singh, J. Dunne, J. Edwards, AND A. Richard. 20190825 - Facilitating community-based chemical curation by providing an Open Source version of the DSSTox chemical and list registration software that supports the EPA CompTox Chemicals Dashboard (ACS Fall 3 of 3). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019.

Grulke, C., A. Williams, J. Wambaugh, R. Judson, K. Houck, AND K. Friedman. 20190825 - High-throughput experimental and computational technologies at the National Center for Computational Toxicology (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9902693

Scalfani, V., L. McEwen, C. Grulke, E. Bolton, G. Landrum, H. Cooke, I. Yamada, J. Irwin, J. Medina-Franco, M. Olozábal, AND O. Koepler. 20190825 - IUPAC SMILES+ Specification: A proposed Community Effort to Advance Interoperability of the SMILES Chemical Structure Representation (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019.

Grulke, C., A. Williams, A. Singh, J. Dunne, A. Richard, AND J. Edwards. 20190825 - Lessons Learned in Building the CompTox Chemicals Dashboard: Engineering a More Sustainable Web-based Chemical Database (ACS Fall 1 of 3). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9772289

Williams, A., C. Grulke, A. Richard, R. Judson, I. Shah, G. Patlewicz, J. Wambaugh, K. Friedman, J. Dunne, AND J. Edwards. 20190825 - US-EPA CompTox Chemicals Dashboard – integrating chemistry and biology data to serve computational toxicology and environmental science (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9894227

Williams, A., C. Grulke, K. Mansouri, J. Dunne, AND J. Edwards. 20190825 - Using open data, open services, and open source software to deliver the EPA CompTox Chemicals Dashboard (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9876005

Sayre, R., J. Wambaugh, K. Phillips, A. Williams, AND C. Grulke. 20191007 - A public database supporting evidence-based exposomics (NCSOT). 2019 NCSOT Annual Meeting, Research Triangle Park, North Carolina, October 07, 2019. https://doi.org/10.23645/epacomptox.11877429

Patlewicz, G., A. Richard, A. Williams, C. Grulke, R. Sams, J. Lambert, Pamela Noyes, M. DeVito, R. Hines, M. Strynar, A. GuiseppiElie, AND R. Thomas. A Chemical Category-Based Prioritization Approach for Selecting 75 Per- and Polyfluoroalkyl Substances (PFAS) for Tiered Toxicity and Toxicokinetic Testing. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 127(1):1-12, (2019). https://doi.org/10.1289/EHP4555

Sayre, R., J. Wambaugh, K. Phillips, A. Williams, AND C. Grulke. A public database supporting evidence-based exposomics. Presented at American Chemical Society Fall 2019 National Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9737237

Williams, A., C. Grulke, G. Patlewicz, AND A. Richard. Accessing Information for Per- & Polyfluoroalkyl Substances (PFAS) using the US EPA CompTox Chemicals Dashboard. Presented at Society of Toxicology annual meeting, Baltimore, MD, March 10 - 14, 2019. https://doi.org/10.23645/epacomptox.7848104

Williams, A., Chris Grulke, R. Judson, A. Richard, K. Paul-Friedman, J. Dunne, AND J. Edwards. Accessing integrated chemistry and toxicology data via the US-EPA CompTox Chemicals Dashboard (SETAC NA). Society of Environmental Toxicology and Chemistry NA 40th annual meeting, Toronto, Ontario, CANADA, November 03 - 07, 2019. https://doi.org/10.23645/epacomptox.10269638

Williams, A., Chris Grulke, G. Patlewicz, AND A. Richard. An integrated data hub for per- and polyfluoroalkyl (PFAS) chemicals to support Non-Targeted Analysis via the US-EPA CompTox Chemicals Dashboard (SETAC NA). Society of Environmental Toxicology and Chemistry NA 40th annual meeting, Toronto, Ontario, CANADA, November 03 - 07, 2019. https://doi.org/10.23645/epacomptox.10299008

Richard, A., R. Lougee, Chris Grulke, N. Baker, J. Wang, AND A. Williams. Applications of a Chemotype-Enrichment Approach to the ToxCast Data Landscape and Beyond: Inverting the SAR Paradigm. Presented at American Chemical Society Spring meeting, Orlando, FL, March 31 - April 04, 2019. https://doi.org/10.23645/epacomptox.8083343