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Year Number of Results
2020 4
2021 10
2022 6
2023 4
2024 1

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23 results

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Page 1
Combining DELs and machine learning for toxicology prediction.
Blay V, Li X, Gerlach J, Urbina F, Ekins S. Blay V, et al. Drug Discov Today. 2022 Nov;27(11):103351. doi: 10.1016/j.drudis.2022.103351. Epub 2022 Sep 9. Drug Discov Today. 2022. PMID: 36096360 Free PMC article. Review.
The Commoditization of AI for Molecule Design.
Urbina F, Ekins S. Urbina F, et al. Artif Intell Life Sci. 2022 Dec;2:100031. doi: 10.1016/j.ailsci.2022.100031. Epub 2022 Jan 24. Artif Intell Life Sci. 2022. PMID: 36211981 Free PMC article.
Recent advances in drug repurposing using machine learning.
Urbina F, Puhl AC, Ekins S. Urbina F, et al. Curr Opin Chem Biol. 2021 Dec;65:74-84. doi: 10.1016/j.cbpa.2021.06.001. Epub 2021 Jul 16. Curr Opin Chem Biol. 2021. PMID: 34274565 Free PMC article. Review.
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. 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.
Flavonoids from Pterogyne nitens as Zika virus NS2B-NS3 protease inhibitors.
Lima CS, Mottin M, de Assis LR, Mesquita NCMR, Sousa BKP, Coimbra LD, Santos KB, Zorn KM, Guido RVC, Ekins S, Marques RE, Proença-Modena JL, Oliva G, Andrade CH, Regasini LO. Lima CS, et al. Bioorg Chem. 2021 Apr;109:104719. doi: 10.1016/j.bioorg.2021.104719. Epub 2021 Feb 11. Bioorg Chem. 2021. PMID: 33636437 Free PMC article.
Repurposing the Ebola and Marburg Virus Inhibitors Tilorone, Quinacrine, and Pyronaridine: In Vitro Activity against SARS-CoV-2 and Potential Mechanisms.
Puhl AC, Fritch EJ, Lane TR, Tse LV, Yount BL, Sacramento CQ, Fintelman-Rodrigues N, Tavella TA, Maranhão Costa FT, Weston S, Logue J, Frieman M, Premkumar L, Pearce KH, Hurst BL, Andrade CH, Levi JA, Johnson NJ, Kisthardt SC, Scholle F, Souza TML, Moorman NJ, Baric RS, Madrid PB, Ekins S. Puhl AC, et al. ACS Omega. 2021 Mar 10;6(11):7454-7468. doi: 10.1021/acsomega.0c05996. eCollection 2021 Mar 23. ACS Omega. 2021. PMID: 33778258 Free PMC article.
Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors.
Puhl AC, Mottin M, Sacramento CQ, Tavella TA, Dias GG, Fintelman-Rodrigues N, Temerozo JR, Dias SSG, Ramos PRPDS, Merten EM, Pearce KH, Costa FTM, Premkumar L, Souza TML, Andrade CH, Ekins S. Puhl AC, et al. ACS Omega. 2022 Aug 8;7(32):27950-27958. doi: 10.1021/acsomega.2c01707. eCollection 2022 Aug 16. ACS Omega. 2022. PMID: 35983371 Free PMC article.
Discovery of PLpro and Mpro Inhibitors for SARS-CoV-2.
Puhl AC, Godoy AS, Noske GD, Nakamura AM, Gawriljuk VO, Fernandes RS, Oliva G, Ekins S. Puhl AC, et al. ACS Omega. 2023 Jun 14;8(25):22603-22612. doi: 10.1021/acsomega.3c01110. eCollection 2023 Jun 27. ACS Omega. 2023. PMID: 37387790 Free PMC article.
23 results