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Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018, 卷号: 58, 期号: 4, 页码: 761-772
作者:  Ma, Songling;  Hwang, Sungbo;  Lee, Sehan;  Acree, William E., Jr.;  No, Kyoung Tai
收藏  |  浏览/下载：27/0  |  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：12/0  |  提交时间：2019/05/04
Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 5, 页码: 1013-1017
作者:  Braga, Rodolpho C.;  Alves, Vinicius M.;  Muratov, Eugene N.;  Strickland, Judy;  Kleinstreuer, Nicole;  Trospsha, Alexander;  Andrade, Carolina Horta
收藏  |  浏览/下载：21/0  |  提交时间：2019/05/04
Integrating Drug's Mode of Action into Quantitative Structure-Activity Relationships for Improved Prediction of Drug-Induced Liver Injury 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2017, 卷号: 57, 期号: 4, 页码: 1000-1006
作者:  Wu, Leihong;  Liu, Zhichao;  Auerbach, Scott;  Huang, Ruili;  Chen, Minjun;  McEuen, Kristin;  Xu, Joshua;  Fang, Hong;  Tong, Weida
收藏  |  浏览/下载：32/0  |  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
Binary Classification of a Large Collection of Environmental Chemicals from Estrogen Receptor Assays by Quantitative Structure-Activity Relationship and Machine Learning Methods 期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2013, 卷号: 53, 期号: 12, 页码: 3244-3261
作者:  Zang, Qingda;  Rotroff, Daniel M.;  Judson, Richard S.
收藏  |  浏览/下载：16/0  |  提交时间：2019/05/04