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DeepBlock

基于分子砌块的靶向配体生成方法,受DNA编码化合物技术启发。

靶向配体生成分子设计
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参考文献
  • [1]Li P, Zhang K, Liu T, et al. A deep learning approach for rational ligand generation with toxicity control via reactive building blocks[J]. Nature Computational Science, 2024, 4(11): 851-864.