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Evaluating and clustering retrosynthesis pathways with learned strategy

With recent advances in the computer-aided synthesis planning (CASP) powered by data science and machine learning, modern CASP programs can rapidly identify thousands of potential pathways for a given target molecule. However, the lack of a holistic pathway evaluation mechanism makes it challenging...

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Detalles Bibliográficos
Autores principales:	Mo, Yiming, Guan, Yanfei, Verma, Pritha, Guo, Jiang, Fortunato, Mike E., Lu, Zhaohong, Coley, Connor W., 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/PMC8179211/ https://www.ncbi.nlm.nih.gov/pubmed/34163910 http://dx.doi.org/10.1039/d0sc05078d

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