Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application

• Main Authors: Jiacheng Xiong (Author), Rongrong Cui (Author), Zhaojun Li (Author), Wei Zhang (Author), Runze Zhang (Author), Zunyun Fu (Author), Xiaohong Liu (Author), Zhenghao Li (Author), Kaixian Chen (Author), Mingyue Zheng (Author)
• Format: Book
• Published: Elsevier, 2024-02-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Aldehyde oxidase (AOX) is a molybdoenzyme that is primarily expressed in the liver and is involved in the metabolism of drugs and other xenobiotics. AOX-mediated metabolism can result in unexpected outcomes, such as the production of toxic metabolites and high metabolic clearance, which can lead to...