Science Inventory

Ulrich, E., J. Sobus, S. Newton, Chris Grulke, A. Richard, R. Singh, A. McEachran, K. Phillips, J. Wambaugh, K. Isaacs, A. Williams, AND A. Chao. Cheminformatics and non-targeted analysis: A two-way street. 2019 Spring ACS Meeting, Orlando, Florida, March 31 - April 04, 2019.

Sobus, J., J. Grossman, A. Chao, R. Singh, A. Williams, Chris Grulke, A. Richard, S. Newton, A. McEachran, AND E. Ulrich. Using Prepared Mixtures of ToxCast Chemicals to Evaluate Non-Targeted Analysis (NTA) Method Performance. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 411(4):835-851, (2019). https://doi.org/10.1007/s00216-018-1526-4

Newton, S., J. Sobus, E. Ulrich, R. Singh, A. Chao, J. McCord, S. Laughlin-Toth, AND M. Strynar. Using Standard Reference Material Dust and EPA's Non-Targeted Analysis Collaborative Trial Mixtures to Evaluate Methodology and Applications of NTA to Environmental Samples. 2019 ACS Spring Meeting, Orlando, FL, March 31 - April 04, 2019.

McEachran, A., H. Al-Ghoul, I. Balabin, T. Cathey, A. Chao, J. Sobus, AND A. Williams. Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry. Presented at ACS National Meeting and Exposition, Boston, MA, August 19 - 23, 2018. https://doi.org/10.23645/epacomptox.6990953

McEachran, A., K. Mansouri, H. Al-Ghoul, A. Chao, Chris Grulke, J. Sobus, AND A. Williams. Developing tools for high resolution mass spectrometry-based screening via the EPA’s CompTox Dashboard. Presented at ACS National Meeting and Exposition, Boston, MA, August 19 - 23, 2018. https://doi.org/10.23645/epacomptox.6991004

McEachran, A., K. Mansouri, H. Al-Ghoul, A. Chao, Chris Grulke, J. Sobus, AND A. Williams. Developing tools for high resolution mass spectrometry-based screening via the EPA’s CompTox Dashboard (ENTACT). Presented at EPA’s ENTACT Workshop, Research Triangle Park, NC, August 13 - 15, 2018. https://doi.org/10.23645/epacomptox.7056158

Singh, R., A. Chao, X. Rui Xia, D. Shea, J. Sobus, AND E. Ulrich. Improving High Throughput Exposomics through EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT). American Society for Mass Spectrometry Conference, San Diego, CA, June 03 - 07, 2018.

Schymanski, E., B. Beck, P. Longree, H. Singer, J. Hollender, C. Ruttkies, A. McEachran, A. Chao, C. Grulke, J. Sobus, AND A. Williams. Integrating Eawag, LCSB, MetFrag and the CompTox Efforts in ENTACT. Presented at EPA's Non-Targeted Analysis Collaborative Trial (ENTACT) Workshop, RTP, NC, August 13 - 15, 2018. https://doi.org/10.23645/epacomptox.7754519

Newton, S., J. Sobus, E. Ulrich, R. Singh, A. Chao, J. McCord, S. Laughlin-Toth, AND M. Strynar. Practical Lessons Learned from the Analysis of ENTACT SRM 2585 Household Dust Extracts and Their Implications to Real World Application of NTA. 2018 ENTACT Workshop, RTP, North Carolina, August 13 - 15, 2018.

Ulrich, E., J. Sobus, J. Grossman, A. Chao, R. Singh, A. McEachran, K. Mansouri, S. Newton, Chris Grulke, A. Richard, AND A. Williams. Study Design and Initial Results for EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT) (SETAC 11/04/2018). 2018 SETAC North America, Sacramento, CA, November 04 - 08, 2018.

Chao, A., H. Al-Ghoul, R. Singh, A. McEachran, I. Balabin, T. Cathey, A. Williams, E. Ulrich, AND J. Sobus. Using Predicted Spectral Libraries to Increase Exposome Coverage in Non-Targeted Analysis Workflows (2018 ASMS). 2018 ASMS Annual Meeting, Pacific Grove, CA, June 03 - 07, 2018.

Sobus, J., J. Grossman, A. Chao, R. Singh, A. Williams, Chris Grulke, A. Richard, A. McEachran, S. Newton, AND E. Ulrich. Using Prepared Mixtures of ToxCast Chemicals to Evaluate Non-Targeted Analysis (NTA) Method Performance. 2018 EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT) Workshop, Research Triangle Park, NC, August 13 - 15, 2018.