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Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis 期刊论文
CHEMICAL SCIENCE, 2017, 卷号: 8, 期号: 6, 页码: 4334-4339
作者:  Kuenemann, Melaine A.;  Szymczyk, Malgorzata;  Chen, Yufei;  Sultana, Nadia;  Hinks, David;  Freeman, Harold S.;  Williams, Antony J.;  Fourches, Denis;  Vinueza, Nelson R.
收藏  |  浏览/下载:42/0  |  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:33/0  |  提交时间:2019/05/04
The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets 期刊论文
JOURNAL OF CHEMINFORMATICS, 2015, 卷号: 7
作者:  Karapetyan, Karen;  Batchelor, Colin;  Sharpe, David;  Tkachenko, Valery;  Williams, Antony J.
收藏  |  浏览/下载:45/0  |  提交时间:2019/05/04