Xiaorui Wang

发表论文 40 篇 · 总被引 949 次 · h-index 16

代表论文

• Graph Neural Networks in Modern AI-aided Drug Discovery (2025 · Chemical Reviews · 被引 77)
• Learning on topological surface and geometric structure for 3D molecular generation (2023 · Nature Computational Science · 被引 67)
• Leveraging language model for advanced multiproperty molecular optimization via prompt engineering (2024 · Nature Machine Intelligence · 被引 64)
• Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites (2024 · Nature Communications · 被引 41)
• HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes (2025 · Nucleic Acids Research · 被引 38)
• Generic Interpretable Reaction Condition Predictions with Open Reaction Condition Datasets and Unsupervised Learning of Reaction Center (2023 · Research · 被引 30)