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Updated: Sep 11, 2025

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基于转移学习和超连接图模型的任务特定活动悬崖预测方法

Dongjiang Niu1, Zengqian Deng1, Xiaofeng Wang2

  • 1College of Computer Science and Technology, Qingdao University, Qingdao 266000, Shandong, China.

Journal of chemical information and modeling
|August 11, 2025
PubMed
概括

预测活动悬崖 (ACs) 对药物发现至关重要. 我们的新框架TS-AC使用转移学习和图形网络来准确识别这些悬崖,改善分子优化.

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