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GSAML-DTA:一种基于图形神经网络的可解释药物标结合亲和力预测模型,具有自我注意机制和相互信息

Jiaqi Liao1, Haoyang Chen1, Lesong Wei2

  • 1School of Software, Shandong University, Jinan, China.

Computers in biology and medicine
|October 20, 2023
PubMed
概括

新的深度学习框架GSAML-DTA通过整合图形神经网络和自我注意力,准确地预测药物目标亲和力 (DTA). 这种可解释的工具通过分析结合原子和残留物来增强药物发现.

关键词:
药物向的亲和力 药物向的亲和力图形神经网络是一个神经网络.互助信息互助信息互助信息互助信息自我注意力机制机制

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