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Shu-Wen Li1, Shan Chen2, João C A Oliveira2

  • 1Center of Chemistry for Frontier Technologies, Department of Chemistry, Zhejiang University, Hangzhou, China.

概括

这项研究介绍了一种分阶段机器学习框架,用于优化化学反应. 它有效地平衡了探索和开发,在高维空间中表现出色,并加速了合成发现.

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