arXiv Machine Learning August 12, 2026 By Chenguang Wang, Zihan Zhou, Lei Bai, Tianshu Yu

Order Matters in Retrosynthesis: Structure-aware Generation via Reaction-Center-Guided Discrete Flow Matching

Read the original on arXiv Machine Learning →

arXiv:2602. 13136v2 Announce Type: replace Abstract: Template-free retrosynthesis methods treat the task as black-box sequence generation, limiting learning efficiency, while semi-template approaches rely on rigid reaction libraries that constrain generalization.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

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