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Retrosynthetic planning with experience-guided Monte Carlo tree search

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 approaches rely...

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Detalles Bibliográficos
Autores principales: Hong, Siqi, Zhuo, Hankz Hankui, Jin, Kebing, Shao, Guang, Zhou, Zhanwen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10257190/
https://www.ncbi.nlm.nih.gov/pubmed/37301940
http://dx.doi.org/10.1038/s42004-023-00911-8