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Finding the K best synthesis plans

In synthesis planning, the goal is to synthesize a target molecule from available starting materials, possibly optimizing costs such as price or environmental impact of the process. Current algorithmic approaches to synthesis planning are usually based on selecting a bond set and finding a single go...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Fagerberg, Rolf, Flamm, Christoph, Kianian, Rojin, Merkle, Daniel, Stadler, Peter F.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5887019/
https://ncbi.nlm.nih.gov/pubmed/29623440
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0273-z
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