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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
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
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：19/0  |  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：29/0  |  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
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：16/0  |  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
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