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...

Descripción completa

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

Internet

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

Ejemplares similares