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Updated: Jul 26, 2025

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LS-MolGen:用于特定目标分子生成的双联体和结构驱动的深度增强学习提高了结合亲和力和新性

Song Li1, Chao Hu2, Song Ke3

  • 1School of Physics and Astronomy, Shanghai Jiao Tong University, 200240 Shanghai, China.

Journal of chemical information and modeling
|June 21, 2023
PubMed
概括

新的深度学习模型LS-MolGen集成了用于药物设计的连接体和结构数据. 它有效地产生具有高结合亲和力的新型分子,优于现有方法.

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