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Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 1: Theory and characteristics(†)

Quantification of the similarity of objects is a key concept in many areas of computational science. This includes cheminformatics, where molecular similarity is usually quantified based on binary fingerprints. While there is a wide selection of available molecular representations and similarity met...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:J Cheminform
Hauptverfasser: Miranda-Quintana, Ramón Alain, Bajusz, Dávid, Rácz, Anita, Héberger, Károly
Format: Artigo
Sprache:Inglês
Veröffentlicht: Springer International Publishing 2021
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8067658/
https://ncbi.nlm.nih.gov/pubmed/33892802
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-021-00505-3
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