Science Inventory

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Patlewicz, G., A. Williams, M. Adams, I. Shah, AND K. Friedman. A cheminformatics workflow to select representative TSCA chemicals for New Approach Methodology (NAM) screening. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25395526

Williams, A. Chemistry data delivery from the US-EPA to support environmental chemistry (P&G 2024). Procter & Gamble, Cincinnati, OH, March 06, 2024. https://doi.org/10.23645/epacomptox.25447120

Sobus, J., K. Phillips, J. Grossman, A. Chao, A. Williams, C. Grulke, A. Richard, A. McEachran, AND E. Ulrich. Cross-Laboratory Comparison of Non-Targeted Analysis Method Performance using Complex Synthetic Mixtures (GC-Orbitrap Users Group). GC-Orbitrap Users Group, Virtual, NC, March 05, 2024. https://doi.org/10.23645/epacomptox.25447045

Stanfield, Z., K. Favela, A. Yau, K. Phillips, A. Williams, K. Isaacs, AND J. Wambaugh. Developing Chemical Signatures for Categories of Household Consumer Products Using Suspect Screening Analysis. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25408714

Chao, A., J. Minucci, M. Boyce, T. Cathey, T. Ferland, N. Sayre-Smith, E. Carr, G. Janesch, S. Purucker, D. Smith, A. Rashid, A. Williams, AND J. Sobus. EPA’s Non-Targeted Analysis WebApp: A web-based software tool for production-level NTA. EPA-RTP, Durham, NC, January 30 - 31, 2024. https://doi.org/10.23645/epacomptox.25438639

Shirke, A., E. Radke-Farabaugh, C. Lin, R. Blain, N. Vetter, C. lemeris, p. hartman, H. Hubbard, M. Angrish, X. Arzuaga Andino, J. Congleton, J. Davis, L. Dishaw, R. Jones, R. Judson, J. Kaiser, A. Kraft, L. Lizarraga, Pamela Noyes, G. Patlewicz, M. Taylor, A. Williams, Kristina Chialton, AND L. Carlson. Expanded Systematic Evidence Map for Hundreds of Per- and Polyfluoroalkyl Substances (PFAS) and Comprehensive PFAS Human Health Dashboard. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, 132(2):CID: 026001, (2024). https://doi.org/10.1289/EHP13423

Zurek-Ost, M., K. Phillips, A. Williams, A. Edelman-Munoz, S. Handa, AND K. Isaacs. ExpoPath: Identifying and Annotating Exposure Pathways from Chemical Co-occurrence Networks. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25408519

Mansouri, K., J. Moreira-Filho, C. Lowe, N. Charest, T. Martin, V. Tkachenko, R. Judson, M. Conway, N. Kleinstreuer, AND A. Williams. Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling. Journal of Cheminformatics. Springer, New York, NY, 16(1):19, (2024). https://doi.org/10.1186/s13321-024-00814-3

Szabo, D., T. Falconer, C. Fisher, T. Heise, A. Flynn, G. Vas, A. Williams, AND A. Kruve. Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry. Analytical Chemistry. American Chemical Society, Washington, DC, 96(9):3707-3716, (2024). https://doi.org/10.1021/acs.analchem.3c05705

Williams, A., T. Martin, AND V. Tkachenko. Proof-of-Concept Publicly Accessible Data Dashboards from the US-EPA. SOT, Salt Lake City, UT, March 10 - 14, 2024. https://doi.org/10.23645/epacomptox.25408579

Chang, D., J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, G. Patlewicz, R. Thomas, L. Wehmas, K. Vitense, S. Auerbach, W. Casey, R. Sams, S. Hunter, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Scientific Studies Supporting Development of Transcriptomic Points of Departure for EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/084, 2024. https://doi.org/10.23645/epacomptox.25365550

Isaacs, K., T. Wall, K. Paul-Friedman, J. Franzosa, H. Goeden, A. Williams, K. Dionisio, J. Lambert, M. Linnenbrink, A. Singh, J. Wambaugh, A. Bogdan, AND C. Greene. Screening for drinking water contaminants of concern using an automated exposure-focused workflow. Journal of Exposure Science and Environmental Epidemiology . Nature Publishing Group, London, Uk, 34:136-147, (2024). https://doi.org/10.1038/s41370-023-00552-y

Brennan, A., D. Chang, J. Cowden, S. Davidson-Fritz, J. Dean, M. Devito, J. Ford, L. Everett, A. Harrill, S. Hester, M. Hughes, J. Lambert, L. Lizarraga, R. Mezencev, D. Macmillan, G. Patlewicz, K. Thayer, R. Thomas, K. Vitense, L. Wehmas, A. Renyer, S. Auerbach, W. Casey, R. Sams, S. Hunter, W. Cascio, K. Holt, S. Jones, R. Subramaniam, G. Rice, J. Bucher, T. Buckley, P. Egeghy, K. Paul-Friedman, J. Harrill, K. Isaacs, R. Judson, J. Kaiser, S. Masten, F. Parham, D. Petersen, A. Phillips, J. Sobus, Dan Villeneuve, P. White, A. Williams, G. Woodall, AND J. Zhao. Standard Methods for Development of EPA Transcriptomic Assessment Products (ETAPs). U.S. Environmental Protection Agency, Washington, DC, EPA/600/X-23/083, 2024. https://doi.org/10.23645/epacomptox.25365496

Williams, A. The advantages, and cautions, of applying AI to the development of prediction models. AAAS Conference, Denver, CO, February 15 - 17, 2024. https://doi.org/10.23645/epacomptox.25447018

Williams, A., G. Janesch, S. Sivasupramaniam, T. Carr, AND N. Baker. Using Cheminformatics Approaches to Develop a Structure Searchable Database of Analytical Methods (P&G). Proctor and Gamble, Cincinnati, OH, March 07, 2024. https://doi.org/10.23645/epacomptox.25447090

Mayer, P., K. Moran, E. Miller, S. Brander, S. Harper, M. Garcia-Jaramillo, V. Carrasco-Navarro, K. Ho, R. Burgess, L. Thornton Hampton, E. Granek, M. McCauley, J. McIntyre, E. Kolodziej, X. Hu, A. Williams, B. Beckingham, M. Jackson, R. Smith, C. Fender, G. King, M. Bollman, S. Kaushal, B. Cunningham, S. Hutton, J. Lang, H. Goss, S. Siddiqui, R. Sutton, D. Lin, AND M. Mendez. Where the Rubber Meets the Road: Emerging Environmental Impacts of Tire Wear Particles and Their Chemical Cocktails. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, Netherlands, 927:171153, (2024). https://doi.org/10.1016/j.scitotenv.2024.171153

Richard, A., R. Lougee, M. Adams, H. Hidle, C. Yang, J. Rathman, T. Magdziarz, A. Williams, G. Patlewicz, AND B. Bienfait. A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS). CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 36(3):508-534, (2023). https://doi.org/10.1021/acs.chemrestox.2c00403

Maloney, E., M. Fernandez, L. Cesh, A. Williams, C. Lowe, J. Krzykwa, AND S. Deglin. A Pilot Database of UVCB Tier 0 Information. HESI UVCB, Reykjavík, ICELAND, September 18 - 19, 2023. https://doi.org/10.23645/epacomptox.24246586

Williams, A. A career in cheminformatics at the US-EPA – serving the scientific community with internet-based data. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24492103

Patlewicz, G., K. Paul-Friedman, AND A. Williams. A cheminformatics workflow to select representative TSCA chemicals for NAM screening. QSAR, Copenhagen, DENMARK, June 05 - 09, 2023. https://doi.org/10.23645/epacomptox.22710220

Williams, A. AND S. Kish. A more sustainable future begins with collaboration and data. IN: AOCS Inform, American Oil Chemists Society, Champaign, IL, (7):13-16, (2023).

Gaines, L., G. Sinclair, AND A. Williams. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integrated Environmental Assessment and Management. Allen Press, Inc., Lawrence, KS, 19(5):1333-1347, (2023). https://doi.org/10.1002/ieam.4735

Deglin, S. AND A. Williams. A tiered assessment framework for the ecological risk assessment of substances of Unknown or Variable composition, Complex reaction Products, or Biological materials (UVCBs). SETAC, Dublin, N/A, IRELAND, April 30 - May 04, 2023. https://doi.org/10.23645/epacomptox.22587511

Janesch, G., E. Carr, V. Samano, J. McCord, J. Bangma, J. Sobus, AND A. Williams. AMOS: the EPA database of analytical methods and open mass spectral database supporting non-targeted analysis. ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23961105

Williams, A. Accessing Environmental Chemistry Data via Data Dashboards (AOCS 2023). AOCS, Denver, CO, April 30 - May 03, 2023. https://doi.org/10.23645/epacomptox.22728581