retrosynthesis prediction

Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning IJCAI 2025 GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation AAAI 2025 KGCL: Knowledge-Enhanced Graph Contrastive Learning for Retrosynthesis Prediction Based on Molecular Graph Editing IJCAI 2025 RetroMoE: A Mixture-of-Experts Latent Translation Framework for Single-step Retrosynthesis IJCAI 2025 RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction AAAI 2024 A Unified View of Deep Learning for Reaction and Retrosynthesis Prediction: Current Status and Future Challenges IJCAI 2023 Retrosynthesis Prediction with Local Template Retrieval AAAI 2023 Retroformer: Pushing the Limits of End-to-end Retrosynthesis Transformer ICML 2022 GTA: Graph Truncated Attention for Retrosynthesis AAAI 2021 Learning Graph Models for Retrosynthesis Prediction NeurIPS 2021 A Graph to Graphs Framework for Retrosynthesis Prediction ICML 2020 RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist NeurIPS 2020