A probabilistic molecular fingerprint for big data settings

BACKGROUND: Among the various molecular fingerprints available to describe small organic molecules, extended connectivity fingerprint, up to four bonds (ECFP4) performs best in benchmarking drug analog recovery studies as it encodes substructures with a high level of detail. Unfortunately, ECFP4 req...

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Detalles Bibliográficos
Autores principales: Probst, Daniel, Reymond, Jean-Louis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755601/
https://www.ncbi.nlm.nih.gov/pubmed/30564943
http://dx.doi.org/10.1186/s13321-018-0321-8

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755601/
https://www.ncbi.nlm.nih.gov/pubmed/30564943
http://dx.doi.org/10.1186/s13321-018-0321-8

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