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The CompTox Chemistry Dashboard: a community data resource for environmental chemistry 期刊论文
JOURNAL OF CHEMINFORMATICS, 2017, 卷号: 9
作者:  Williams, Antony J.;  Grulke, Christopher M.;  Edwards, Jeff;  McEachran, Andrew D.;  Mansouri, Kamel;  Baker, Nancy C.;  Patlewicz, Grace;  Shah, Imran;  Wambaugh, John F.;  Judson, Richard S.;  Richard, Ann M.
收藏  |  浏览/下载：33/0  |  提交时间：2019/05/04
EPA Comptox Chemistry Dashboard: Web-based data integration hub for environmental chemistry and toxicology data 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Grulke, Christopher;  McEachran, Andrew;  Richard, Ann;  Smith, Jennifer;  Jolley, Rebecca;  Dunne, Jeremy;  Edmiston, Elizabeth;  Edwards, Jeff
收藏  |  浏览/下载：29/0  |  提交时间：2019/05/04
Screening of a large number of trace organic compounds in drinking water using point-of-use filters and suspect screening analysis 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Newton, Seth;  McMahen, Rebecca;  Sobus, Jon;  Williams, Antony;  McEachran, Andrew;  Strynar, Mark
收藏  |  浏览/下载：16/0  |  提交时间：2019/05/04
Structure identification for non-targeted analytical chemistry using the US EPA's CompTox chemistry dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  McEachran, Andrew;  Grossman, Jarod;  Newton, Seth;  Isaacs, Kristin;  Phillips, Katherine;  Baker, Nancy;  Sobus, Jon;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：13/0  |  提交时间：2019/05/04
Open workflow to generate MS-Ready structures and improve non-targeted mass spectrometry 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  McEachran, Andrew;  Mansouri, Kamel;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：1/0  |  提交时间：2019/05/04
Markush enumeration to manage, mesh and manipulate substances of unknown or variable composition 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Grulke, Christopher;  McEachran, Andrew;  Schymanski, Emma
收藏  |  浏览/下载：2/0  |  提交时间：2019/05/04
Integrating non-targeted analysis research with high-throughput chemical screening programs at the US EPA 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Sobus, Jon;  Wambaugh, John;  Isaacs, Kristin;  Williams, Antony;  McEachran, Andrew;  Richard, Ann;  Grulke, Christopher;  Ulrich, Elin;  Rager, Julia;  Strynar, Mark;  Newton, Seth
收藏  |  浏览/下载：35/0  |  提交时间：2019/05/04
Evaluation of three retention time prediction models: 1) logP, 2) ACD/ChromGenius, and 3) a quantitative structure retention relationship model 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  McEachran, Andrew;  Mansouri, Kamel;  Newton, Seth;  Beverly, Brandiese;  Sobus, Jon;  Williams, Antony
收藏  |  浏览/下载：18/0  |  提交时间：2019/05/04
Standardizing a standard? Identification and comparison of chemicals in standard reference materials using non-targeted analysis of organic molecules by high-resolution mass spectrometry 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Laughlin, Sarah;  Grossman, Jarod;  Newton, Seth;  McEachran, Andrew;  Williams, Antony;  Marcotte, Aurelie;  Ulrich, Elin;  Sobus, Jon
收藏  |  浏览/下载：98/0  |  提交时间：2019/05/04
When just knowing isn't enough: Turning unknowns into quantitative knowns in non-targeted analyses 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Grossman, Jarod;  Marcotte, Aurelie;  McEachran, Andrew;  Williams, Antony;  Sobus, Jon
收藏  |  浏览/下载：14/0  |  提交时间：2019/05/04