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"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies 期刊论文
JOURNAL OF CHEMINFORMATICS, 2018, 卷号: 10
作者:  McEachran, Andrew D.;  Mansouri, Kamel;  Grulke, Chris;  Schymanski, Emma L.;  Ruttkies, Christoph;  Williams, Antony J.
收藏  |  浏览/下载:50/0  |  提交时间:2019/05/04
Data review and clean-up using crowdsourced input via 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;  Paul-Friedman, Katie;  Grulke, Christopher;  Schymanski, Emma;  Edwards, Jeff
收藏  |  浏览/下载:25/0  |  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:23/0  |  提交时间:2019/05/04
Applications of the US EPA's CompTox Chemistry Dashboard to support structure identification and chemical forensics using mass spectrometry 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  Williams, Antony;  McEachran, Andrew;  Sobus, Jon;  Schymanski, Emma
收藏  |  浏览/下载:33/0  |  提交时间:2019/05/04
Curating and sharing structures and spectra for the environmental community 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Schymanski, Emma;  Williams, Antony
收藏  |  浏览/下载:12/0  |  提交时间:2019/05/04
Overview of open resources to support automated structure verification and elucidation 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Williams, Antony;  Schymanski, Emma
收藏  |  浏览/下载:10/0  |  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:22/0  |  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
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:20/0  |  提交时间:2019/05/04