Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints

Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints

Abstract 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 o...

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Bibliographic Details
Main Authors: Anita Rácz, Dávid Bajusz, Károly Héberger
Format: Article
Language:English
Published: BMC 2018-10-01
Series:Journal of Cheminformatics
Subjects:
Virtual screening
Interaction fingerprint
Similarity metrics
SRD
ANOVA
FPKit
Online Access:http://link.springer.com/article/10.1186/s13321-018-0302-y

Internet

http://link.springer.com/article/10.1186/s13321-018-0302-y

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