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Chemography: Searching for Hidden Treasures.
Zabolotna Y, Lin A, Horvath D, Marcou G, Volochnyuk DM, Varnek A. Zabolotna Y, et al. J Chem Inf Model. 2021 Jan 25;61(1):179-188. doi: 10.1021/acs.jcim.0c00936. Epub 2020 Dec 17. J Chem Inf Model. 2021. PMID: 33334102
SynthI: A New Open-Source Tool for Synthon-Based Library Design.
Zabolotna Y, Volochnyuk DM, Ryabukhin SV, Gavrylenko K, Horvath D, Klimchuk O, Oksiuta O, Marcou G, Varnek A. Zabolotna Y, et al. J Chem Inf Model. 2022 May 9;62(9):2151-2163. doi: 10.1021/acs.jcim.1c00754. Epub 2021 Nov 1. J Chem Inf Model. 2022. PMID: 34723532
Exploration of the Chemical Space of DNA-encoded Libraries.
Pikalyova R, Zabolotna Y, Volochnyuk DM, Horvath D, Marcou G, Varnek A. Pikalyova R, et al. Among authors: zabolotna y. Mol Inform. 2022 Jun;41(6):e2100289. doi: 10.1002/minf.202100289. Epub 2022 Jan 28. Mol Inform. 2022. PMID: 34981643 Free article.
Evolution of commercially available compounds for HTS.
Volochnyuk DM, Ryabukhin SV, Moroz YS, Savych O, Chuprina A, Horvath D, Zabolotna Y, Varnek A, Judd DB. Volochnyuk DM, et al. Among authors: zabolotna y. Drug Discov Today. 2019 Feb;24(2):390-402. doi: 10.1016/j.drudis.2018.10.016. Epub 2018 Nov 3. Drug Discov Today. 2019. PMID: 30399443 Free article. Review.
In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes.
Rayevsky AV, Poturai AS, Kravets IO, Pashenko AE, Borisova TA, Tolstanova GM, Volochnyuk DM, Borysko PO, Vadzyuk OB, Alieksieieva DO, Zabolotna Y, Klimchuk O, Horvath D, Marcou G, Ryabukhin SV, Varnek A. Rayevsky AV, et al. Among authors: zabolotna y. Molecules. 2022 Aug 24;27(17):5400. doi: 10.3390/molecules27175400. Molecules. 2022. PMID: 36080168 Free PMC article.
13 results