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收藏Machine learning-aided generative molecular design机器学习辅助的生成性分子设计
Du, Yuanqi; Jamasb, Arian R.; Guo, Jeff; Fu, Tianfan; Harris, Charles; Wang, Yingheng; Duan, Chenru; Lio, Pietro; Schwaller, Philippe; Blundell, Tom L.
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收藏Improving de novo molecular design with curriculum learning (vol 4, pg 555, 2022)
Guo, Jeff; Fialkova, Vendy; Arango, Juan Diego; Margreitter, Christian; Janet, Jon Paul; Papadopoulos, Kostas; Engkvist, Ola; Patronov, Atanas
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收藏DockStream: a docking wrapper to enhance de novo molecular designDockStream: 一种用于增强从头分子设计的对接包装器
Guo, Jeff; Janet, Jon Paul; Bauer, Matthias R.; Nittinger, Eva; Giblin, Kathryn A.; Papadopoulos, Kostas; Voronov, Alexey; Patronov, Atanas; Engkvist, Ola; Margreitter, Christian
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