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Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

BACKGROUND: A method to estimate ease of synthesis (synthetic accessibility) of drug-like molecules is needed in many areas of the drug discovery process. The development and validation of such a method that is able to characterize molecule synthetic accessibility as a score between 1 (easy to make)...

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Detalhes bibliográficos
Main Authors: Ertl, Peter, Schuffenhauer, Ansgar
Formato: Artigo
Idioma:Inglês
Publicado em: Springer 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3225829/
https://ncbi.nlm.nih.gov/pubmed/20298526
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-1-8
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