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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：51/0  |  提交时间：2019/05/04
Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates 期刊论文
ARCHIVES OF TOXICOLOGY, 2018, 卷号: 92, 期号: 2, 页码: 587-600
作者:  Truong, Lisa;  Ouedraogo, Gladys;  LyLy Pham;  Clouzeau, Jacques;  Loisel-Joubert, Sophie;  Blanchet, Delphine;  Nocairi, Hicham;  Setzer, Woodrow;  Judson, Richard;  Grulke, Chris;  Mansouri, Kamel;  Martin, Matthew
收藏  |  浏览/下载：19/0  |  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：27/0  |  提交时间：2019/05/04
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
A comparison of three liquid chromatography (LC) retention time prediction models 期刊论文
TALANTA, 2018, 卷号: 182, 页码: 371-379
作者:  McEachran, Andrew D.;  Mansouri, Kamel;  Newton, Seth R.;  Beverly, Brandiese E. J.;  Sobus, Jon R.;  Williams, Antony J.
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
Applying chemical space analysis to select compounds for targeted in vitro methods 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Nicolas, Chantel;  Mansouri, Kamel;  Haider, Saad;  Yoon, Miyoung;  McMullen, Patrick;  Phillips, Katherine;  Wambaugh, John;  Tropsha, Alexander;  Clewell, Rebecca;  Clewell, Harvey
收藏  |  浏览/下载：81/0  |  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：39/0  |  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：21/0  |  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
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：14/0  |  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
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：24/0  |  提交时间：2019/05/04
High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2018, 卷号: 615, 页码: 150-160
作者:  Strope, Cory L.;  Mansouri, Kamel;  Clewell, Harvey J., III;  Rabinowitz, James R.;  Stevens, Caroline;  Wambaugh, John F.
收藏  |  浏览/下载：28/0  |  提交时间：2019/05/04
Web-based access to experimental and predicted data for environmental fate, transport and toxicity data 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 256
作者:  Williams, Antony;  Martin, Todd;  Tkachenko, Valery;  Mansouri, Kamel;  Grulke, Christopher
收藏  |  浏览/下载：25/0  |  提交时间：2019/05/04
US EPA CompTox Chemistry Dashboard as a source of data to fill data gaps for chemical sources of risk 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Williams, Antony;  Grulke, Christopher;  Mansouri, Kamel;  Dionisio, Kathie;  Phillips, Katherine;  Patlewicz, Grace;  Shah, Imran;  Isaacs, Kristin;  Wambaugh, John;  Richard, Ann;  Judson, Richard
收藏  |  浏览/下载：23/0  |  提交时间：2019/05/04
OPERA: A free and open source QSAR tool for predicting physicochemical properties and environmental fate endpoints 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 卷号: 255
作者:  Mansouri, Kamel;  Grulke, Christopher;  Judson, Richard;  Williams, Antony
收藏  |  浏览/下载：24/0  |  提交时间：2019/05/04