BioinformaticsActa Pharmaceutica Sinica BPeer-reviewed
Transfer Learning Enhanced Graph Neural Network for Aldehyde Oxidase Metabolism Prediction and Its Experimental Application
Jiacheng Xiong, Rongrong Cui, Zhaojun Steven Li…·Mingyue Zheng
This study develops AOMP, a graph neural network for predicting AOX metabolism, outperforming benchmarks and identifying new scaffolds validated experimentally.