MetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous Metabolites

Background: Previous studies compared the molecular similarity of marketed drugs and endogenous human metabolites (endogenites), using a series of fingerprint-type encodings, variously ranked and clustered using the Tanimoto (Jaccard) similarity coefficient (TS). Because this gives equal weight to a...

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Detalles Bibliográficos
Autores principales: O'Hagan, Steve, Kell, Douglas B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2016
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992690/
https://www.ncbi.nlm.nih.gov/pubmed/27597830
http://dx.doi.org/10.3389/fphar.2016.00266

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992690/
https://www.ncbi.nlm.nih.gov/pubmed/27597830
http://dx.doi.org/10.3389/fphar.2016.00266

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