Jörg K. Wegner

机构：Johnson & Johnson (United States), Johnson & Johnson (Israel), Drug Discovery Laboratory (Norway) · ORCID：0000-0002-1852-9434

发表论文 116 篇 · 总被引 4220 次 · h-index 32

代表论文

• A geometric deep learning approach to predict binding conformations of bioactive molecules (2021 · Nature Machine Intelligence · 被引 185)
• Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks (2022 · Journal of Chemical Information and Modeling · 被引 79)
• Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies (2021 · Molecular Informatics · 被引 74)
• Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task (2022 · Journal of Chemical Information and Modeling · 被引 49)
• Reaction Data Curation I: Chemical Structures and Transformations Standardization (2021 · Molecular Informatics · 被引 44)
• Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules (2024 · Scientific Data · 被引 36)