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Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints

BACKGROUND: Interaction fingerprints (IFP) have been repeatedly shown to be valuable tools in virtual screening to identify novel hit compounds that can subsequently be optimized to drug candidates. As a complementary method to ligand docking, IFPs can be applied to quantify the similarity of predic...

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Detalles Bibliográficos
Autores principales:	Rácz, Anita, Bajusz, Dávid, Héberger, Károly
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/PMC6755604/ https://www.ncbi.nlm.nih.gov/pubmed/30288626 http://dx.doi.org/10.1186/s13321-018-0302-y

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