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一个双分支图形神经网络架构用于药物标结合亲和力预测

Khushnood Abbas1, Chen Hao2, Dong Shi3

  • 1School of Computer Science and Technology, Zhoukou Normal University, Henan, China. khushnood.abbas@zknu.edu.cn.

Scientific reports
|March 17, 2026
PubMed
概括

一个新的双分支图形神经网络 (GNN) 通过改善分子表示来增强人工智能药物发现. 这种人工智能方法加快了候选人选和药物重新定位,超过了现有的模型.

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