Analysis of drug–endogenous human metabolite similarities in terms of their maximum common substructures

In previous work, we have assessed the structural similarities between marketed drugs (‘drugs’) and endogenous natural human metabolites (‘metabolites’ or ‘endogenites’), using ‘fingerprint’ methods in common use, and the Tanimoto and Tversky similarity metrics, finding that the fingerprint encoding...

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Detalles Bibliográficos
Autores principales: O’Hagan, Steve, Kell, Douglas B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344883/
https://www.ncbi.nlm.nih.gov/pubmed/28316656
http://dx.doi.org/10.1186/s13321-017-0198-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5344883/
https://www.ncbi.nlm.nih.gov/pubmed/28316656
http://dx.doi.org/10.1186/s13321-017-0198-y

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