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一个系统的研究关键元素的基础分子属性预测的系统研究

Jianyuan Deng1, Zhibo Yang2, Hehe Wang3

  • 1Stony Brook University, Department of Biomedical Informatics, Stony Brook, NY, 11794, USA.

Nature communications
|October 13, 2023
PubMed
概括

人工智能 (AI) 在药物发现的分子性质预测方面取得了有限的成功. 数据集的大小对于表示学习模型的良好表现至关重要.

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