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

TCMBank-the largest TCM database provides deep learning-based Chinese-Western medicine exclusion prediction

por Lv, Qiujie, Chen, Guanxing, He, Haohuai, Yang, Ziduo, Zhao, Lu, Zhang, Kang, Chen, Calvin Yu-Chian
Publicado 2023

TCMBank: bridges between the largest herbal medicines, chemical ingredients, target proteins, and associated diseases with intelligence text mining

por Lv, Qiujie, Chen, Guanxing, He, Haohuai, Yang, Ziduo, Zhao, Lu, Chen, Hsin-Yi, Chen, Calvin Yu-Chian
Publicado 2023