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Rapid experimental measurements of physicochemical properties to inform models and testing 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2018, 卷号: 636, 页码: 901-909
作者:  Nicolas, Chantel I.;  Mansouri, Kamel;  Phillips, Katherine A.;  Grulke, Christopher M.;  Richard, Ann M.;  Williams, Antony J.;  Rabinowitz, James;  Isaacs, Kristin K.;  Yau, Alice;  Wambaugh, John F.
收藏  |  浏览/下载：27/0  |  提交时间：2019/05/04
"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：54/0  |  提交时间：2019/05/04
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds 期刊论文
MAGNETIC RESONANCE IN CHEMISTRY, 2018, 卷号: 56, 期号: 8, 页码: 703-715
作者:  Pupier, Marion;  Nuzillard, Jean-Marc;  Wist, Julien;  Schloerer, Nils E.;  Kuhn, Stefan;  Erdelyi, Mate;  Steinbeck, Christoph;  Williams, Antony J.;  Butts, Craig;  Claridge, Tim D. W.;  Mikhova, Bozhana;  Robien, Wolfgang;  Dashti, Hesam;  Eghbalnia, Hamid R.;  Fares, Christophe;  Adam, Christian;  Kessler, Pavel;  Moriaud, Fabrice;  Elyashberg, Mikhail;  Argyropoulos, Dimitris;  Perez, Manuel;  Giraudeau, Patrick;  Gil, Roberto R.;  Trevorrow, Paul;  Jeannerat, Damien
收藏  |  浏览/下载：28/0  |  提交时间：2019/05/04
OPERA models for predicting physicochemical properties and environmental fate endpoints 期刊论文
JOURNAL OF CHEMINFORMATICS, 2018, 卷号: 10
作者:  Mansouri, Kamel;  Grulke, Chris M.;  Judson, Richard S.;  Williams, Antony J.
收藏  |  浏览/下载：23/0  |  提交时间：2019/05/04
Suspect Screening Analysis of Chemicals in Consumer Products 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2018, 卷号: 52, 期号: 5, 页码: 3125-3135
作者:  Phillips, Katherine A.;  Yau, Alice;  Fayela, Kristin A.;  Isaacs, Kristin K.;  McEachran, Andrew;  Grulke, Christopher;  Richard, Ann M.;  Williams, Antony J.;  Sobus, Jon R.;  Thomas, Russell S.;  Wambaugh, John F.
收藏  |  浏览/下载：25/0  |  提交时间：2019/05/04
Suspect screening and non-targeted analysis of drinking water using point-of-use filters 期刊论文
ENVIRONMENTAL POLLUTION, 2018, 卷号: 234, 页码: 297-306
作者:  Newton, Seth R.;  McMahen, Rebecca L.;  Sobus, Jon R.;  Mansouri, Kamel;  Williams, Antony J.;  McEachran, Andrew D.;  Strynar, Mark J.
收藏  |  浏览/下载：42/0  |  提交时间：2019/05/04
Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 2, 页码: 2344-2352
作者:  Williams, Tova N.;  Kuenemann, Melaine A.;  Van den Driessche, George A.;  Williams, Antony J.;  Fourches, Denis;  Freeman, Harold S.
收藏  |  浏览/下载：29/0  |  提交时间：2019/05/04
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry 期刊论文
JOURNAL OF CHEMINFORMATICS, 2017, 卷号: 9
作者:  Williams, Antony J.;  Grulke, Christopher M.;  Edwards, Jeff;  McEachran, Andrew D.;  Mansouri, Kamel;  Baker, Nancy C.;  Patlewicz, Grace;  Shah, Imran;  Wambaugh, John F.;  Judson, Richard S.;  Richard, Ann M.
收藏  |  浏览/下载：34/0  |  提交时间：2019/05/04
Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing 期刊论文
ANALYTICAL CHEMISTRY, 2017, 卷号: 89, 期号: 21, 页码: 11505-11513
作者:  Warth, Benedikt;  Spangler, Scott;  Fang, Mingliang;  Johnson, Caroline H.;  Forsberg, Erica M.;  Granados, Ana;  Martin, Richard L.;  Domingo-Almenara, Xavier;  Huan, Tao;  Rinehart, Duane;  Montenegro-Burke, J. Rafael;  Hilmers, Brian;  Aisporna, Aries;  Hoang, Linh T.;  Uritboonthai, Winnie;  Benton, H. Paul;  Richardson, Susan D.;  Williams, Antony J.;  Siuzdak, Gary
收藏  |  浏览/下载：37/0  |  提交时间：2019/05/04
Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard 期刊论文
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2017, 卷号: 409, 期号: 7, 页码: 1729-1735
作者:  McEachran, Andrew D.;  Sobus, Jon R.;  Williams, Antony J.
收藏  |  浏览/下载：21/0  |  提交时间：2019/05/04