USPTO-50k

Papers using USPTO-50k (11)

Representation-Guided Discrete Molecular Graph Retrosynthesis2026Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning2025 · 2 citesEnhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning2025 · 2 citesOrder Matters in Retrosynthesis: Structure-aware Generation via Reaction-Center-Guided Discrete Flow Matching2026A Pre-trained Reaction Embedding Descriptor Capturing Bond Transformation Patterns2026Template-Free Retrosynthesis with Graph-Prior Augmented Transformers2025Copy-Augmented Representation for Structure Invariant Template-Free Retrosynthesis2025A Large Language Model for Chemistry and Retrosynthesis Predictions2025SynBridge: Bridging Reaction States via Discrete Flow for Bidirectional Reaction Prediction2025Retro3D: A 3D-aware Template-free Method for Enhancing Retrosynthesis via Molecular Conformer Information2025Retrosynthesis prediction enhanced by in-silico reaction data augmentation2024 · 4 cites