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EPA iCSS Chemistry dashboard to support compound identification using high resolution mass spectrometry data 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 卷号: 252
作者:  Williams, Antony;  Sobus, Jon;  Mansouri, Kamel;  Strynar, Mark;  Ulrich, Elin;  Grulke, Christopher
收藏  |  浏览/下载：26/0  |  提交时间：2019/05/04
Implementation of a web-based workflow for evaluation of chemical risks in the Superfund program 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Frame, Alicia;  Williams, Antony;  Judson, Richard;  Sams, Reeder;  Grulke, Christopher;  Shah, Imran;  Patlewicz, Grace;  Lambert, Jason;  Wesselkamper, Scott;  Foster, Stiven;  Raffaele, Kathleen
收藏  |  浏览/下载：17/0  |  提交时间：2019/05/04
Integration of Markush structures into EPA's DSSTox database to represent and enumerate UVCB substances 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Grulke, Christopher;  Williams, Antony;  Richard, Ann
收藏  |  浏览/下载：1/0  |  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：15/0  |  提交时间：2019/05/04
Data aggregation, curation and modeling approaches to deliver prediction models to support computational toxicology at the EPA 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 卷号: 252
作者:  Williams, Antony;  Mansouri, Kamel;  Martin, Todd;  Grulke, Christopher;  Wambaugh, John;  Judson, Richard;  Richard, Ann;  Patlewicz, Grace;  Shah, Imran
收藏  |  浏览/下载：4/0  |  提交时间：2019/05/04
Sharing chemical structures: Workflows, demonstrations, and discussion 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Scalfani, Vincent;  McEwen, Leah;  Li, Ye;  Schymanski, Emma;  Costache, Aurora;  Hoffmann, Eufrozina;  Volford, Andras;  Williams, Antony;  Grulke, Christopher;  Zhang, Jian;  Ward, Suzanna;  Jones, Guy;  Banik, Gregory
收藏  |  浏览/下载：22/0  |  提交时间：2019/05/04
Rapid collection of experimental physicochemical property data to inform various models and testing methods 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Nicolas, Chantel;  Mansouri, Kamel;  Phillips, Katherine;  Grulke, Christopher;  Richard, Ann;  Williams, Antony;  Rabinowitz, James;  Isaacs, Kristin;  Yau, Alice;  Wambaugh, John
收藏  |  浏览/下载：28/0  |  提交时间：2019/05/04
Virtual screening of chemicals for endocrine disrupting activity: Case studies of the estrogen and androgen receptors 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Mansouri, Kamel;  Kleinstreuer, Nicole;  Grulke, Christopher;  Richard, Ann;  Shah, Imran;  Williams, Antony;  Judson, Richard
收藏  |  浏览/下载：31/0  |  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
Adding complex expert knowledge into chemical databases: Transforming surfactants in wastewater 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Schymanski, Emma;  Grulke, Christopher;  Hollender, Juliane;  Williams, Antony
收藏  |  浏览/下载：24/0  |  提交时间：2019/05/04
Developing tools for high resolution mass spectrometry-based screening via the EPA's CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  McEachran, Andrew;  Mansouri, Kamel;  Al-Ghoul, Hussein;  Grulke, Christopher;  Sobus, Jon;  Williams, Antony
收藏  |  浏览/下载：14/0  |  提交时间：2019/05/04
Structure identification by mass spectrometry non-targeted analysis using the US EPA's CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Williams, Antony;  McEachran, Andrew;  Grulke, Christopher;  Newton, Seth;  Isaacs, Kristin;  Philips, Katherine;  Baker, Nancy;  Sobus, Jon
收藏  |  浏览/下载：13/0  |  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：14/0  |  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
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
Automated workflows for data curation and standardization of chemical structures for QSAR modeling 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Mansouri, Kamel;  McEachran, Andrew;  Grulke, Christopher;  Richard, Ann;  Judson, Richard;  Williams, Antony
收藏  |  浏览/下载：25/0  |  提交时间：2019/05/04
Chemotype-enrichment workflow: A univariate analysis workflow for exploring chemical feature enrichments across EPA's ToxCast chemical-assay landscape 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Lougee, Ryan;  Richard, Ann;  Grulke, Christopher
收藏  |  浏览/下载：18/0  |  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