假装它,直到你让它吗? 合成分子的de novo设计和虚拟选

Megan Stanley1, Marwin Segler1

  • 1Microsoft Research AI4Science, UK.

概括

计算机辅助分子设计通过整合虚拟查和生成模型来加速药物发现. 确保合成可行性对于药物发现研究中的计算方法至关重要.

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