Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

BACKGROUND: Cheminformaticians are equipped with a very rich toolbox when carrying out molecular similarity calculations. A large number of molecular representations exist, and there are several methods (similarity and distance metrics) to quantify the similarity of molecular representations. In thi...

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Detalles Bibliográficos
Autores principales: Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4456712/
https://www.ncbi.nlm.nih.gov/pubmed/26052348
http://dx.doi.org/10.1186/s13321-015-0069-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4456712/
https://www.ncbi.nlm.nih.gov/pubmed/26052348
http://dx.doi.org/10.1186/s13321-015-0069-3

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