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Toward in Silico Modeling of Dynamic Combinatorial Libraries.
Casciuc I, Osypenko A, Kozibroda B, Horvath D, Marcou G, Bonachera F, Varnek A, Lehn JM. Casciuc I, et al. ACS Cent Sci. 2022 Jun 22;8(6):804-813. doi: 10.1021/acscentsci.2c00048. Epub 2022 May 27. ACS Cent Sci. 2022. PMID: 35756377 Free PMC article.
Sweetness prediction of natural compounds.
Chéron JB, Casciuc I, Golebiowski J, Antonczak S, Fiorucci S. Chéron JB, et al. Among authors: casciuc i. Food Chem. 2017 Apr 15;221:1421-1425. doi: 10.1016/j.foodchem.2016.10.145. Epub 2016 Nov 3. Food Chem. 2017. PMID: 27979110