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Updated: Jul 20, 2025

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检查分子设计的多目标深度强化学习框架

Aws Al-Jumaily1, Muhetaer Mukaidaisi1, Andrew Vu1

  • 1Department of Computer Science, Brock University, 1812 Sir Isaac Brock Way, St. Catharines, L2S 3A1, Ontario, Canada.

Bio Systems
|August 6, 2023
PubMed
概括

深度强化学习 (DRL) 框架在药物设计方面表现有前途,但面临可扩展性问题. DeepFMPO框架在优化分子性质方面取得了成功,但表现出训练不稳定性,需要进一步的研究来改进.

关键词:
深度强化学习的学习.在DeepFMPO中使用DeepFMPO.药物设计 药物设计基于碎片的药物设计.分子优化分子优化多目标优化多目标优化

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