Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing

por Zhong, Weihe, Yang, Ziduo, Chen, Calvin Yu-Chian
Publicado 2023

MGraphDTA: deep multiscale graph neural network for explainable drug–target binding affinity prediction

por Yang, Ziduo, Zhong, Weihe, Zhao, Lu, Yu-Chian Chen, Calvin
Publicado 2022

Learning size-adaptive molecular substructures for explainable drug–drug interaction prediction by substructure-aware graph neural network

por Yang, Ziduo, Zhong, Weihe, Lv, Qiujie, Yu-Chian Chen, Calvin
Publicado 2022

Artificial Intelligence-Based Application to Explore Inhibitors of Neurodegenerative Diseases

por Deng, Leping, Zhong, Weihe, Zhao, Lu, He, Xuedong, Lian, Zongkai, Jiang, Shancheng, Chen, Calvin Yu-Chian
Publicado 2020