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Multilaboratory Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry for the Screening of 1087 Pesticides in Fresh Fruits and Vegetables 多实验室研究一种用于目标分析的未知物数据采集(nDATA)工作流程，该流程采用超高效液相色谱-高分辨质谱技术对新鲜水果和蔬菜中的1087种农药进行筛查 Wong, Jon W.; Wang, Jian; Chow, Willis; Carlson, Roland; Williams, Antony J.; Lingenfelter, Neil; Nguyen, Kevin; Tu, Tiffany; Saini, Nirmal; Zhang, Kai; Hayward, Douglas G.; Chang, James S. 分享 收藏
Integration of new approach methods for the assessment of data-poor chemicals 整合评估数据贫乏化学品的新方法 Friedman, Katie Paul; Thomas, Russell S.; Wambaugh, John F.; Harrill, Joshua A.; Judson, Richard S.; Shafer, Timothy J.; Williams, Antony J.; Lee, Jia-Ying Joey; Loo, Lit-Hsin; Gagne, Matthew; Long, Alexandra S.; Barton-Maclaren, Tara S.; Whelan, Maurice; Bouhifd, Mounir; Rasenberg, Mike; Simanainen, Ulla; Sobanski, Tomasz 分享 收藏
Automated QA/QC reporting for non-targeted analysis: a demonstration of INTERPRET NTA with de facto water reuse data Sobus, Jon R.; Sayre-Smith, Nickolas A.; Chao, Alex; Ferland, Troy M.; Minucci, Jeffrey M.; Carr, E. Tyler; Brunelle, Laura D.; Batt, Angela L.; Whitehead, Heather D.; Cathey, Tommy; Boyce, Matthew; Ulrich, Elin M.; Mccord, James P.; Williams, Antony J. 分享 收藏
Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment 填补PFAS检测中的空白：整合GC-MS非靶向分析以实现全面的环境监测和暴露评估 Newton, Seth R.; Bowden, John A.; Charest, Nathaniel; Jackson, Stephen R.; Koelmel, Jeremy P.; Liberatore, Hannah K.; Lin, Ashley M.; Lowe, Charles N.; Nieto, Sofia; Pollitt, Krystal J. Godri; Robuck, Anna R.; Rostkowski, Pawel; Townsend, Timothy G.; Wallace, M. Ariel Geer; Williams, Antony John 分享 收藏
Analytical Quality Evaluation of the Tox21 Compound Library Tox21化合物库的分析质量评价 Richard, Ann M.; Tao, Dingyin; Leclair, Christopher A.; Leister, William; Tretyakov, Kirill V.; White, Edward; Lewis, Ken C.; Sefler, Andrea; Shinn, Paul; Collins, Bradley J.; Nguyen, Dac-Trung; Ye, Lin; Zhao, Tongan; Xu, Tuan; Williams, Antony J.; Waidyanatha, Suramya; Thomas, Russell S.; Tice, Raymond; Simeonov, Anton; Huang, Ruili 分享 收藏
Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice Liu, Sheng; Dukes, David A.; Koelmel, Jeremy P.; Stelben, Paul; Finch, Jasen; Okeme, Joseph; Lowe, Charles; Williams, Antony; Godri, David; Rennie, Emma E.; Parry, Emily; Mcdonough, Carrie A.; Godri Pollitt, Krystal J. 分享 收藏
Introducing Identification Probability for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies Metz, Thomas O.; Chang, Christine H.; Gautam, Vasuk; Anjum, Afia; Tian, Siyang; Wang, Fei; Colby, Sean M.; Nunez, Jamie R.; Blumer, Madison R.; Edison, Arthur S.; Fiehn, Oliver; Jones, Dean P.; Li, Shuzhao; Morgan, Edward T.; Patti, Gary J.; Ross, Dylan H.; Shapiro, Madelyn R.; Williams, Antony J.; Wishart, David S. 分享 收藏
Development of chemical categories for per- and polyfluoroalkyl substances (PFAS) and the proof-of-concept approach to the identification of potential candidates for tiered toxicological testing and human health assessment Patlewicz, G.; Judson, R. S.; Williams, A. J.; Butler, T.; Barone Jr, S.; Carstens, K. E.; Cowden, J.; Dawson, J. L.; Degitz, S. J.; Fay, K.; Henry, T. R.; Lowit, A.; Padilla, S.; Friedman, K. Paul; Phillips, M. B.; Turk, D.; Wambaugh, J. F.; Wetmore, B. A.; Thomas, R. S. 分享 收藏
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling Mansouri, Kamel; Moreira-Filho, Jose T.; Lowe, Charles N.; Charest, Nathaniel; Martin, Todd; Tkachenko, Valery; Judson, Richard; Conway, Mike; Kleinstreuer, Nicole C.; Williams, Antony J. 分享 收藏
Systematic Evidence Map for over One Hundred and Fifty Per- and Polyfluoroalkyl Substances (PFAS) (vol 130, 056001, 2022) Carlson, Laura M.; Angrish, Michelle; Shirke, Avanti, V; Radke, Elizabeth G.; Schulz, Brittany; Kraft, Andrew; Judson, Richard; Patlewicz, Grace; Blain, Robyn; Lin, Cynthia; Vetter, Nicole; Lemeris, Courtney; Hartman, Pamela; Hubbard, Heidi; Arzuaga, Xabier; Davis, Allen; V. Dishaw, Laura; Druwe, Ingrid L.; Hollinger, Hillary; Jones, Ryan; Kaiser, J. Phillip; Lizarraga, Lucina; Noyes, Pamela D.; Taylor, Michele; Shapiro, Andrew J.; Williams, Antony J.; Thayer, Kristina A. 分享 收藏
Cutting-edge computational chemical exposure research at the US Environmental Protection Agency 美国环境保护署的尖端计算化学暴露研究 Buckley, Timothy J.; Egeghy, Peter P.; Isaacs, Kristin; Richard, Ann M.; Ring, Caroline; Sayre, Risa R.; Sobus, Jon R.; Thomas, Russell S.; Ulrich, Elin M.; Wambaugh, John F.; Williams, Antony J. 分享 收藏
Systematic evidence map (SEM) template: Report format and methods used for the US EPA Integrated Risk Information System (IRIS) program, Provisional Peer Reviewed Toxicity Value (PPRTV) program, and other fit for purpose literature-based human health analyses (vol 169, 107468, 2022) Thayer, Kristina A.; Angrish, Michelle; Arzuaga, Xabier; Carlson, Laura M.; Davis, Allen; Dishaw, Laura; Druwe, Ingrid; Gibbons, Catherine; Glenn, Barbara; Jones, Ryan; Kaiser, J. Phillip; Keshava, Channa; Keshava, Nagalakshmi; Kraft, Andrew; Lizarraga, Lucina; Persad, Amanda; Radke, Elizabeth G.; Rice, Glenn; Schulz, Brittany; Shaffer, Rachel M.; Shannon, Teresa; Shapiro, Andrew; Thacker, Shane; Vulimiri, Suryanarayana V.; Williams, Antony J.; Woodall, George; Yost, Erin; Blain, Robyn; Duke, Katherine; Goldstone, Alexandra E.; Hartman, Pam; Hobbie, Kevin; Ingle, Brandall; Lemeris, Courtney; Line, Cynthia; Lindahl, Alex; McKinley, Kristen; Soleymani, Parnian; Vetter, Nicole 分享 收藏
Application of systematic evidence mapping to identify available data on the potential human health hazards of selected market-relevant azo dyes Keshava, Channa; Nicolai, Suna; V. Vulimiri, Suryanarayana; Cruz, Florenz A.; Ghoreishi, Narges; Knueppel, Sven; Lenzner, Ariane; Tarnow, Patrick; Vanselow, Jens T.; Schulz, Brittany; Persad, Amanda; Baker, Nancy; Thayer, Kristina A.; Williams, Antony J.; Pirow, Ralph 分享 收藏
Screening for drinking water contaminants of concern using an automated exposure-focused workflow Isaacs, Kristin K.; Wall, Jonathan T.; Friedman, Katie Paul; Franzosa, Jill A.; Goeden, Helen; Williams, Antony J.; Dionisio, Kathie L.; Lambert, Jason C.; Linnenbrink, Monica; Singh, Amar; Wambaugh, John F.; Bogdan, Alexander R.; Greene, Christopher 分享 收藏
Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology (Feb, 10.1038/s41370-022-00490-1, 2023) 标准化非目标分析报告以推进暴露科学和环境流行病学 (2月，10.1038/s41370-022-00490-1，2023) Phillips, Allison L.; Peter, Katherine T.; Sobus, Jon R.; Fisher, Christine M.; Manzano, Carlos A.; McEachran, Andrew D.; Williams, Antony J.; Knolhoff, Ann M.; Ulrich, Elin M. 分享 收藏
A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS) 一种新的基于CSRML结构的指纹方法，用于对全氟和多氟烷基物质 (PFAS) 进行分析和分类 Richard, Ann M.; Lougee, Ryan; Adams, Matthew; Hidle, Hannah; Yang, Chihae; Rathman, James; Magdziarz, Tomasz; Bienfait, Bruno; Williams, Antony J.; Patlewicz, Grace 分享 收藏
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Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis 使用计算机预测工具和LCMS可疑筛选分析鉴定异源生物代谢物 Boyce, Matthew; Favela, Kristin A. A.; Bonzo, Jessica A. A.; Chao, Alex; Lizarraga, Lucina E. E.; Moody, Laura R. R.; Owens, Elizabeth O. O.; Patlewicz, Grace; Shah, Imran; Sobus, Jon R. R.; Thomas, Russell S. S.; Williams, Antony J. J.; Yau, Alice; Wambaugh, John F. F. 分享 收藏
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