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 · 2.5K citations · Full text

Engineering, Candidate Compounds, Admet Properties +19

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 · 574 citations · Full text

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 · 239 citations · Full text

Drug Target, Engineering, Machine Learning +19

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 · 230 citations

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 · 188 citations

Engineering, Knowledge Distillation, Conditional Transformer +6