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Found 4 papers, 2 papers with code
Molecule-Edit Templates for Efficient and Accurate Retrosynthesis Prediction
Retrosynthesis involves determining a sequence of reactions to synthesize complex molecules from simpler precursors.
Interpretability Benchmark for Evaluating Spatial Misalignment of Prototypical Parts Explanations
Prototypical parts-based networks are becoming increasingly popular due to their faithful self-explanations.
ProtoSeg: Interpretable Semantic Segmentation with Prototypical Parts
We introduce ProtoSeg, a novel model for interpretable semantic image segmentation, which constructs its predictions using similar patches from the training set.
Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits
The central challenge in automated synthesis planning is to be able to generate and predict outcomes of a diverse set of chemical reactions.
Ranked #16 on
Single-step retrosynthesis
on USPTO-50k
