Jike Wang

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

Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking

Jike Wang, Hongyan Du, Dejun Jiang et al. · Nature Communications · 2023 · 143 citations · Full text

Mining Toxicity Information from Large Amounts of Toxicity Data

Dejun Jiang, Jike Wang, Chang‐Yu Hsieh et al. · Journal of Medicinal Chemistry · 2021 · 97 citations

Hit Identification, Machine Learning, Data Science +22

Knowledge-based BERT: a method to extract molecular features like computational chemists

Dejun Jiang, Jike Wang, Xujun Zhang et al. · Briefings in Bioinformatics · 2022 · 91 citations

Engineering, Machine Learning, Machine Learning Tool +24