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基于GluN1/GluN3A抑制剂的对比学习药物查模型

Kun Li1, Yue Zeng2,3,4, Yi-da Xiong1

  • 1School of Computer Science, Wuhan University, Wuhan, 430037, China.

Acta pharmacologica Sinica
|June 6, 2025
PubMed
概括

我们开发了CLG-DTA,这是一种新的AI方法,用于发现针对神经系统疾病的GluN1/GluN3A受体的药物. 这种方法成功地确定了强效化合物,包括Boeravinone E,加速了治疗开发.

关键词:
在N-甲基-D-酸盐 (NMDA) 受体.GluN3A 亚单元. 这就是 GluN3A.相反的学习学习学习.药物目标亲和力预测的预测.图表神经网络的神经网络虚拟选 虚拟选 虚拟选

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