Towards efficient discovery of green synthetic pathways with Monte Carlo tree search and reinforcement learning

Computer aided synthesis planning of synthetic pathways with green process conditions has become of increasing importance in organic chemistry, but the large search space inherent in synthesis planning and the difficulty in predicting reaction conditions make it a significant challenge. We introduce...

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Detalles Bibliográficos
Autores principales: Wang, Xiaoxue, Qian, Yujie, Gao, Hanyu, Coley, Connor W., Mo, Yiming, Barzilay, Regina, Jensen, Klavs F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162445/
https://www.ncbi.nlm.nih.gov/pubmed/34094345
http://dx.doi.org/10.1039/d0sc04184j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162445/
https://www.ncbi.nlm.nih.gov/pubmed/34094345
http://dx.doi.org/10.1039/d0sc04184j

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