Similar, or dissimilar, that is the question. How different are methods for comparison of compounds similarity?
Author:
Funder
Fundacja na rzecz Nauki Polskiej
Narodowe Centrum Nauki
Publisher
Elsevier BV
Subject
Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology
Reference41 articles.
1. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?;Bajusz;J. Cheminform.,2015
2. How similar are similarity searching methods? A principal component analysis of molecular descriptor space;Bender;J. Chem. Inf. Model.,2009
3. Molecular fingerprint similarity search in virtual screening;Cereto-Massagué;Methods,2015
4. Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients;Chen;J. Chem. Inf. Comput. Sci.,2002
5. Ligand-based approaches in virtual screening;Douguet;Curr. Comput.-Aided Drug Des.,2008
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