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Transfer Learning Enhanced Graph Neural Network for Aldehyde Oxidase Metabolism Prediction and Its Experimental Application

Jiacheng Xiong,Rongrong Cui,Zhaojun Li,Wei Zhang,Runze Zhang,Zunyun Fu, Xiaohong Liu, Zhenghao Li,Kaixian Chen,Mingyue Zheng

ACTA PHARMACEUTICA SINICA B（2024）

Cited 1|Views32
Key words
Drug metabolism,Aldehyde oxidase,Transfer learning,Graph neural network,Kinase inhibitor
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