Chang‐Yu Hsieh

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

Guo‐Li Xiong, Jiacai Yi, Li Fu et al. · Nucleic Acids Research · 2021 · 2.7K citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models

Dejun Jiang, Chang‐Yu Hsieh, Guangyong Chen et al. · Journal of Cheminformatics · 2021 · 623 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +16

A unified drug–target interaction prediction framework based on knowledge graph and recommendation system

Qing Ye, Chang‐Yu Hsieh, Ziyi Yang et al. · Nature Communications · 2021 · 253 citations · Full text

Pharmacy, Bioinformatics, Data Science +17

InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions

Dejun Jiang, Chang‐Yu Hsieh, Yu Kang et al. · Journal of Medicinal Chemistry · 2021 · 248 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning

Jike Wang, Chang‐Yu Hsieh, Mingyang Wang et al. · Nature Machine Intelligence · 2021 · 203 citations

Computing, Chemistry, Knowledge Representation +7