FragmentNet: Adaptive Graph Fragmentation for Graph-to-Sequence Molecular Representation Learning 事件

FragmentNet: Adaptive Graph Fragmentation for Graph-to-Sequence Molecular Representation Learning arXiv:2502.01184v2 Announce Type: replace-cross Abstract: Molecular representation learning methods typically tokenize molecules as individual atoms or use rigid, rule-based fragment decompositions, limiting their ability to capture meaningful chemical substructure context. We introduce FragmentNet, a graph-to-sequence model built around a novel adaptive, learned tokenizer that decomposes molecular