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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：55/0  |  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
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：17/0  |  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：24/0  |  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：36/0  |  提交时间：2019/05/04
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 11, 页码: 2874-2884
作者:  Trisciuzzi, Daniela;  Alberga, Domenico;  Mansouri, Kamel;  Judson, Richard;  Novellino, Ettore;  Mangiatordi, Giuseppe Felice;  Nicolotti, Orazio
收藏  |  浏览/下载：15/0  |  提交时间：2019/05/04
Evaluation of three retention time prediction models: 1) logP, 2) ACD/ChromGenius, and 3) a quantitative structure retention relationship model 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 254
作者:  McEachran, Andrew;  Mansouri, Kamel;  Newton, Seth;  Beverly, Brandiese;  Sobus, Jon;  Williams, Antony
收藏  |  浏览/下载：21/0  |  提交时间：2019/05/04
In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 1, 页码: 36-49
作者:  Zang, Qingda;  Mansouri, Kamel;  Williams, Antony J.;  Judson, Richard S.;  Allen, David G.;  Casey, Warren M.;  Kleinstreuer, Nicole C.
收藏  |  浏览/下载：32/0  |  提交时间：2019/05/04
ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology 期刊论文
CHEMICAL RESEARCH IN TOXICOLOGY, 2016, 卷号: 29, 期号: 8, 页码: 1225-1251
作者:  Richard, Ann M.;  Judson, Richard S.;  Houck, Keith A.;  Grulke, Christopher M.;  Volarath, Patra;  Thillainadarajah, Inthirany;  Yang, Chihae;  Rathman, James;  Martin, Matthew T.;  Wambaugh, John F.;  Knudsen, Thomas B.;  Kancherla, Jayaram;  Mansouri, Kamel;  Patlewicz, Grace;  Williams, Antony J.;  Little, Stephen B.;  Crofton, Kevin M.;  Thomas, Russell S.
收藏  |  浏览/下载：33/0  |  提交时间：2019/05/04