SYBA: Bayesian estimation of synthetic accessibility of organic compounds

SYBA (SYnthetic Bayesian Accessibility) is a fragment-based method for the rapid classification of organic compounds as easy- (ES) or hard-to-synthesize (HS). It is based on a Bernoulli naïve Bayes classifier that is used to assign SYBA score contributions to individual fragments based on their freq...

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Detalles Bibliográficos
Autores principales: Voršilák, Milan, Kolář, Michal, Čmelo, Ivan, Svozil, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7238540/
https://www.ncbi.nlm.nih.gov/pubmed/33431015
http://dx.doi.org/10.1186/s13321-020-00439-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7238540/
https://www.ncbi.nlm.nih.gov/pubmed/33431015
http://dx.doi.org/10.1186/s13321-020-00439-2

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