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EPA Comptox Chemistry Dashboard as a data integration hub for environmental chemistry data 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  Williams, Antony;  McEachran, Andrew
收藏  |  浏览/下载：24/0  |  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
Sharing chemical structures with peer-reviewed publications. Are we there yet? 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Williams, Antony
收藏  |  浏览/下载：1/0  |  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：21/0  |  提交时间：2019/05/04
Curating "suspect lists" for international non-target screening efforts 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Schymanski, Emma;  Aalizadeh, Reza;  Thomaidis, Nikolaos;  Hollender, Juliane;  Slobodnik, Jaroslav;  Williams, Antony
收藏  |  浏览/下载：18/0  |  提交时间：2019/05/04
Automated structure annotation and curation for MassBank: Potential and pitfalls 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Schymanski, Emma;  Stravs, Michael;  Schulze, Tobias;  Williams, Antony
收藏  |  浏览/下载：9/0  |  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
Identifying and prioritizing chemicals for evaluation of potential endocrine bioactivity and exposure 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Frame, Alicia;  Markey, Kristan;  Kamel, Alaa;  Watford, Sean;  Paul-Friedman, Katie;  Judson, Richard;  Williams, Antony
收藏  |  浏览/下载：29/0  |  提交时间：2019/05/04
Case studies in characterising metabolic similarity in read-across through the use of In vitro, In silico and analytical data 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Patlewicz, Grace;  Lizarraga, Lucina;  Owens, Elizabeth;  Lambert, Jason;  Wesselkamper, Scott;  Zhao, Qiyu;  Hawkins, Belinda;  Dean, Jeffry;  Williams, Antony;  Shah, Imran;  Favela, Kristin;  Yau, Alice;  Bonzo, Jessica;  Moody, Laura;  Thomas, Russell;  Wambaugh, John
收藏  |  浏览/下载：42/0  |  提交时间：2019/05/04
Data Descriptor: The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products 期刊论文
SCIENTIFIC DATA, 2018, 卷号: 5
作者:  Dionisio, Kathie L.;  Phillips, Katherine;  Price, Paul S.;  Grulke, Christopher M.;  Williams, Antony;  Biryol, Derya;  Hong, Tao;  Isaacs, Kristin K.
收藏  |  浏览/下载：24/0  |  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：30/0  |  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
Prediction of pKa from chemical structure using free and open-source tools 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Tkachenko, Valery;  Cariello, Neal;  Korotcov, Alexander;  Mansouri, Kamel;  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
Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  McEachran, Andrew;  Al-Ghoul, Hussein;  Balabin, Ilya;  Cathey, Tommy;  Sobus, Jon;  Williams, Antony
收藏  |  浏览/下载：29/0  |  提交时间：2019/05/04
Accessing information for per- and polyfluoroalkyl substances using the US EPA CompTox Chemistry Dashboard 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  Williams, Antony;  McEachran, Andrew;  Strynar, Mark;  Grulke, Christopher;  Mansouri, Kamel;  Patlewicz, Grace;  Sams, Reeder;  Schymanski, Emma;  Richard, Ann
收藏  |  浏览/下载：25/0  |  提交时间：2019/05/04
Leveraging chemistry data to improve exposure analyses using 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;  Phillips, Katherine;  Isaacs, Kristin;  Newton, Seth;  Sobus, Jon;  Grulke, Christopher;  Williams, Antony
收藏  |  浏览/下载：26/0  |  提交时间：2019/05/04