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Bringing it all together: A web-based database for chemical and biological data to support environmental toxicology 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Grulke, Christopher;  Smith, Jennifer;  Watford, Sean;  Jolley, Rebecca;  Dunne, Jeremy;  Edmiston, Elizabeth;  Edwards, Jeff
收藏  |  浏览/下载：12/0  |  提交时间：2019/05/04
Five years of helping chemists to create an online presence using freely available resources 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony
收藏  |  浏览/下载：1/0  |  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：31/0  |  提交时间：2019/05/04
Freely available online tools for communicating chemistry through social media 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony
收藏  |  浏览/下载：2/0  |  提交时间：2019/05/04
Public access to environmental chemistry data via the EPA CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Grulke, Christopher;  Smith, Jennifer;  Jolley, Rebecca;  Dunne, Jeremy;  Edmiston, Elizabeth;  Edwards, Jeff
收藏  |  浏览/下载：11/0  |  提交时间：2019/05/04
Need and benefits for structure standardization to facilitate integration and connectivity between government databases 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Tkachenko, Valery;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：15/0  |  提交时间：2019/05/04
Applications of the web-based CompTox Chemistry Dashboard to support emerging contaminants in the Superfund Program 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Frame, Alicia;  Williams, Antony;  Judson, Richard;  Mageid, Allaa;  Patlewicz, Grace;  Shah, Imran;  Smith, Jennifer;  Grulke, Christopher;  Edwards, Jeff
收藏  |  浏览/下载：18/0  |  提交时间：2019/05/04
Real-time prediction of physicochemical and toxicological endpoints using the web-based CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Martin, Todd;  Tkachenko, Valery;  Grulke, Christopher;  Mansouri, Kamel
收藏  |  浏览/下载：13/0  |  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：15/0  |  提交时间：2019/05/04
Deep learning methods applied to physicochemical and toxicological endpoints 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Sattarov, Boris;  Korotcov, Alexandru;  Tkachenko, Valery;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：15/0  |  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
Benefits of making data from the EPA National Center for Computational Toxicology available for reuse 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Mansouri, Kamel;  Tkachenko, Valery;  Blinov, Kirill;  Grulke, Christopher
收藏  |  浏览/下载：30/0  |  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：20/0  |  提交时间：2019/05/04
Open chemistry registry and mapping platform based on open source cheminformatics toolkits 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Tkachenko, Valery;  Slenter, Denise;  Jeliazkova, Nina;  Gaulton, Anna;  Williams, Antony;  Steinbeck, Christoph;  Evelo, Chris;  Willighagen, Egon
收藏  |  浏览/下载：36/0  |  提交时间：2019/05/04
EPA CompTox Chemistry Dashboard and underpinning software architecture 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  Williams, Antony;  Grulke, Christopher;  Chang, Daniel;  Markey, Kristan;  Edwards, Jeff
收藏  |  浏览/下载：16/0  |  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：109/0  |  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：15/0  |  提交时间：2019/05/04