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Using self-organizing maps to accelerate similarity search.
Bonachera F, Marcou G, Kireeva N, Varnek A, Horvath D. Bonachera F, et al. Among authors: marcou g. Bioorg Med Chem. 2012 Sep 15;20(18):5396-409. doi: 10.1016/j.bmc.2012.04.024. Epub 2012 Apr 21. Bioorg Med Chem. 2012. PMID: 22595424
Design of a general-purpose European compound screening library for EU-OPENSCREEN.
Horvath D, Lisurek M, Rupp B, Kühne R, Specker E, von Kries J, Rognan D, Andersson CD, Almqvist F, Elofsson M, Enqvist PA, Gustavsson AL, Remez N, Mestres J, Marcou G, Varnek A, Hibert M, Quintana J, Frank R. Horvath D, et al. Among authors: marcou g. ChemMedChem. 2014 Oct;9(10):2309-26. doi: 10.1002/cmdc.201402126. Epub 2014 Jul 15. ChemMedChem. 2014. PMID: 25044981
Stargate GTM: Bridging Descriptor and Activity Spaces.
Gaspar HA, Baskin II, Marcou G, Horvath D, Varnek A. Gaspar HA, et al. Among authors: marcou g. J Chem Inf Model. 2015 Nov 23;55(11):2403-10. doi: 10.1021/acs.jcim.5b00398. Epub 2015 Oct 20. J Chem Inf Model. 2015. PMID: 26458083
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