Paper "retrosynthesis prediction" 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

RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction

Yemin Yu, Luotian Yuan, Ying WEI et al.

AAAI 2024paperarXiv:2312.10900
5
citations