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Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.
Nature. 2022 Jan;601(7893):452-459. doi: 10.1038/s41586-021-04220-9. Epub 2021 Dec 15.
Nature. 2022.
PMID: 34912117
Free PMC article.
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML.
Stein RM, et al. Among authors: savych o.
Nature. 2020 Mar;579(7800):609-614. doi: 10.1038/s41586-020-2027-0. Epub 2020 Feb 10.
Nature. 2020.
PMID: 32040955
Free PMC article.
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An Old Story in the Parallel Synthesis World: An Approach to Hydantoin Libraries.
Bogolubsky AV, Moroz YS, Savych O, Pipko S, Konovets A, Platonov MO, Vasylchenko OV, Hurmach VV, Grygorenko OO.
Bogolubsky AV, et al. Among authors: savych o.
ACS Comb Sci. 2018 Jan 8;20(1):35-43. doi: 10.1021/acscombsci.7b00163. Epub 2017 Dec 27.
ACS Comb Sci. 2018.
PMID: 29227678
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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: savych o.
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.
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SAR by Space: Enriching Hit Sets from the Chemical Space.
Klingler FM, Gastreich M, Grygorenko OO, Savych O, Borysko P, Griniukova A, Gubina KE, Lemmen C, Moroz YS.
Klingler FM, et al. Among authors: savych o.
Molecules. 2019 Aug 26;24(17):3096. doi: 10.3390/molecules24173096.
Molecules. 2019.
PMID: 31454992
Free PMC article.
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Facile One-Pot Parallel Synthesis of 3-Amino-1,2,4-triazoles.
Bogolyubsky AV, Savych O, Zhemera AV, Pipko SE, Grishchenko AV, Konovets AI, Doroshchuk RO, Khomenko DN, Brovarets VS, Moroz YS, Vybornyi M.
Bogolyubsky AV, et al. Among authors: savych o.
ACS Comb Sci. 2018 Jul 9;20(7):461-466. doi: 10.1021/acscombsci.8b00060. Epub 2018 Jun 18.
ACS Comb Sci. 2018.
PMID: 29874036
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One-Pot Parallel Synthesis of 5-(Dialkylamino)tetrazoles.
Savych O, Kuchkovska YO, Bogolyubsky AV, Konovets AI, Gubina KE, Pipko SE, Zhemera AV, Grishchenko AV, Khomenko DN, Brovarets VS, Doroschuk R, Moroz YS, Grygorenko OO.
Savych O, et al.
ACS Comb Sci. 2019 Sep 9;21(9):635-642. doi: 10.1021/acscombsci.9b00120. Epub 2019 Aug 29.
ACS Comb Sci. 2019.
PMID: 31437394
Free PMC article.
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Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds.
Korshunova M, Huang N, Capuzzi S, Radchenko DS, Savych O, Moroz YS, Wells CI, Willson TM, Tropsha A, Isayev O.
Korshunova M, et al. Among authors: savych o.
Commun Chem. 2022 Oct 18;5(1):129. doi: 10.1038/s42004-022-00733-0.
Commun Chem. 2022.
PMID: 36697952
Free PMC article.
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