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Machine Learning Models Identify Inhibitors of SARS-CoV-2.
Gawriljuk VO, Zin PPK, Puhl AC, Zorn KM, Foil DH, Lane TR, Hurst B, Tavella TA, Costa FTM, Lakshmanane P, Bernatchez J, Godoy AS, Oliva G, Siqueira-Neto JL, Madrid PB, Ekins S. Gawriljuk VO, et al. Among authors: foil dh. J Chem Inf Model. 2021 Sep 27;61(9):4224-4235. doi: 10.1021/acs.jcim.1c00683. Epub 2021 Aug 13. J Chem Inf Model. 2021. PMID: 34387990 Free PMC article.
Déjà vu: Stimulating open drug discovery for SARS-CoV-2.
Ekins S, Mottin M, Ramos PRPS, Sousa BKP, Neves BJ, Foil DH, Zorn KM, Braga RC, Coffee M, Southan C, Puhl AC, Andrade CH. Ekins S, et al. Among authors: foil dh. Drug Discov Today. 2020 May;25(5):928-941. doi: 10.1016/j.drudis.2020.03.019. Epub 2020 Apr 19. Drug Discov Today. 2020. PMID: 32320852 Free PMC article. Review.
Comparison of Machine Learning Models for the Androgen Receptor.
Zorn KM, Foil DH, Lane TR, Hillwalker W, Feifarek DJ, Jones F, Klaren WD, Brinkman AM, Ekins S. Zorn KM, et al. Among authors: foil dh. Environ Sci Technol. 2020 Nov 3;54(21):13690-13700. doi: 10.1021/acs.est.0c03984. Epub 2020 Oct 21. Environ Sci Technol. 2020. PMID: 33085465 Free PMC article.
Machine Learning for Discovery of GSK3β Inhibitors.
Vignaux PA, Minerali E, Foil DH, Puhl AC, Ekins S. Vignaux PA, et al. Among authors: foil dh. ACS Omega. 2020 Oct 12;5(41):26551-26561. doi: 10.1021/acsomega.0c03302. eCollection 2020 Oct 20. ACS Omega. 2020. PMID: 33110983 Free PMC article.
Comparing Machine Learning Models for Aromatase (P450 19A1).
Zorn KM, Foil DH, Lane TR, Hillwalker W, Feifarek DJ, Jones F, Klaren WD, Brinkman AM, Ekins S. Zorn KM, et al. Among authors: foil dh. Environ Sci Technol. 2020 Dec 1;54(23):15546-15555. doi: 10.1021/acs.est.0c05771. Epub 2020 Nov 19. Environ Sci Technol. 2020. PMID: 33207874 Free PMC article.
25 results