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RENATE: A Pseudo‐retrosynthetic Tool for Synthetically Accessible de novo Design

Reaction‐based de novo design refers to the generation of synthetically accessible molecules using transformation rules extracted from known reactions in the literature. In this context, we have previously described the extraction of reaction vectors from a reactions database and their coupling with...

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Detalles Bibliográficos
Autores principales:	Ghiandoni, Gian Marco, Bodkin, Michael J., Chen, Beining, Hristozov, Dimitar, Wallace, James E. A., Webster, James, Gillet, Valerie J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2021
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9285524/ https://www.ncbi.nlm.nih.gov/pubmed/34750989 http://dx.doi.org/10.1002/minf.202100207

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