Retrosynthetic planning with experience-guided Monte Carlo tree search

Abstract In retrosynthetic planning, the huge number of possible routes to synthesize a complex molecule using simple building blocks leads to a combinatorial explosion of possibilities. Even experienced chemists often have difficulty to select the most promising transformations. The current approac...

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Váldodahkkit: Siqi Hong, Hankz Hankui Zhuo, Kebing Jin, Guang Shao, Zhanwen Zhou
Materiálatiipa: Artihkal
Giella:English
Almmustuhtton: Nature Portfolio 2023-06-01
Ráidu:Communications Chemistry
Liŋkkat:https://doi.org/10.1038/s42004-023-00911-8