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Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics

Both the automated generation of reaction networks and the automated prediction of synthetic trees require, in one way or another, the definition of possible transformations a molecule can undergo. One way of doing this is by using reaction templates. In view of the expanding amount of known reactio...

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Detalles Bibliográficos
Autores principales: Plehiers, Pieter P., Marin, Guy B., Stevens, Christian V., Van Geem, Kevin M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5845084/
https://www.ncbi.nlm.nih.gov/pubmed/29524042
http://dx.doi.org/10.1186/s13321-018-0269-8