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Updated: Jun 27, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

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通过使用深度生成化学,重新生成多目标化合物

Brenton P Munson1,2, Michael Chen1, Audrey Bogosian1

  • 1Division of Human Genomics and Precision Medicine, Department of Medicine, University of California San Diego, La Jolla, CA, 92093, USA.

Nature communications
|May 6, 2024
PubMed
概括

我们开发了 POLYGON,一种生成强化学习方法,用于设计抑制多个蛋白质标的新型多药学药物. 这种方法成功地产生了具有高精度和合成化合物的候选药物,这些化合物对MEK1和mTOR蛋白具有显著活性.

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