Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase Inhibitors

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作者
Schneider, Petra [1 ,2 ]
Welin, Martin [3 ]
Svensson, Bo [3 ]
Walse, Björn [3 ]
Schneider, Gisbert [1 ]
机构
[1] Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 4, Zurich,8093, Switzerland
[2] inSili.com GmbH, Segantinisteig 3, Zurich,8049, Switzerland
[3] SARomics Biostructures AB, Medicon Village, Lund,SE-223 81, Sweden
来源
Molecular Informatics | 2020年 / 39卷 / 09期
关键词
Binding energy - Enzymes - Ligands - Recurrent neural networks - Scaffolds;
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