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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：15/0  |  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
Using semi-automated curation workflows to collect, organize, and curate the data and models necessary to support the EPA CompTox chemical dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Grulke, Christopher;  Thillainadarajah, Indira;  Sayre, Risa;  Mansouri, Kamel;  Williams, Antony;  Richard, Ann
收藏  |  浏览/下载：3/0  |  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
Delivering an informational hub for data at the National Center for Computational Toxicology 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Williams, Antony;  Grulke, Christopher;  Smith, Jennifer;  Mansouri, Kamel;  McEachran, Andrew;  Patlewicz, Grace;  Fitzpatrick, Jeremy;  Richard, Ann;  Edwards, Jeff
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
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
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：34/0  |  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：12/0  |  提交时间：2019/05/04
EPA CompTox chemistry dashboard: An online resource for environmental chemists 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Williams, Antony;  Grulke, Christopher;  Smith, Jennifer;  Mansouri, Kamel;  McEachran, Andrew;  Dionisio, Kathie;  Phillips, Katharine;  Patlewicz, Grace;  Fitzpatrick, Jeremy;  Martin, Todd;  Richard, Ann;  Edwards, Jeff
收藏  |  浏览/下载：28/0  |  提交时间：2019/05/04
Evaluating suspect screening and non-targeted analysis approaches using a collaborative research trial at the US EPA 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Williams, Antony;  McEachran, Andrew;  Ulrich, Elin;  Sobus, Jon;  Richard, Ann;  Grulke, Christopher
收藏  |  浏览/下载：25/0  |  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
Free online access to experimental and predicted chemical properties through the EPA's CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Mansouri, Kamel;  Grulke, Christopher;  Judson, Richard;  Williams, Antony
收藏  |  浏览/下载：1/0  |  提交时间：2019/05/04
OPERA: A QSAR tool for physicochemical properties and environmental fate predictions 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Mansouri, Kamel;  Grulke, Christopher;  Judson, Richard;  Williams, Antony
收藏  |  浏览/下载：1/0  |  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：16/0  |  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：14/0  |  提交时间：2019/05/04
Use of chemotypes for profiling and exploring the ToxCast chemical-assay landscape 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Richard, Ann;  Grulke, Christopher;  Patlewicz, Grace;  Yang, Chihae;  Williams, Antony
收藏  |  浏览/下载：20/0  |  提交时间：2019/05/04
Chemistry Validation and Standardization Platform Version 2.0 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Tkachenko, Valery;  Zakharov, Richard;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：16/0  |  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：9/0  |  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