"reaction center identification" Papers

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GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation

Shengyin Sun, Wenhao Yu, Yuxiang Ren et al.

AAAI 2025paperarXiv:2501.08001
7
citations

RETRO SYNFLOW: Discrete Flow-Matching for Accurate and Diverse Single-Step Retrosynthesis

Robin Yadav, Qi Yan, Guy Wolf et al.

NEURIPS 2025arXiv:2506.04439
1
citations