Chemist-aligned retrosynthesis by ensembling diverse inductive bias models

待确认 10 由 Eddie 发布于 2026/9/27 17:56:23

DOI:10.1038/s41586-026-11160-9
作者：Krzysztof Maziarz, Guoqing Liu?? (刘国庆), Felix Pultar, John Gardner, Tobias Gensch, Jean Helie, Hubert Misztela, Austin Tripp, Junren Li, Aleksei Kornev, Piotr Gaiński, Holger Hoefling,
文献类型：期刊论文
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Nature

Abstract：Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules1−3. While AI-assisted synthesis planning has proliferated in recent years, a d

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