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Dual Use of Artificial Intelligence-powered Drug Discovery.
Urbina F, Lentzos F, Invernizzi C, Ekins S. Urbina F, et al. Nat Mach Intell. 2022 Mar;4(3):189-191. doi: 10.1038/s42256-022-00465-9. Epub 2022 Mar 7. Nat Mach Intell. 2022. PMID: 36211133 Free PMC article.
AI in drug discovery: A wake-up call.
Urbina F, Lentzos F, Invernizzi C, Ekins S. Urbina F, et al. Drug Discov Today. 2023 Jan;28(1):103410. doi: 10.1016/j.drudis.2022.103410. Epub 2022 Oct 18. Drug Discov Today. 2023. PMID: 36270472 Free PMC article.
Mycobacterium abscessus drug discovery using machine learning.
Schmalstig AA, Zorn KM, Murcia S, Robinson A, Savina S, Komarova E, Makarov V, Braunstein M, Ekins S. Schmalstig AA, et al. Tuberculosis (Edinb). 2022 Jan;132:102168. doi: 10.1016/j.tube.2022.102168. Epub 2022 Jan 20. Tuberculosis (Edinb). 2022. PMID: 35077930 Free PMC article.
Transparency in Decision Modelling: What, Why, Who and How?
Sampson CJ, Arnold R, Bryan S, Clarke P, Ekins S, Hatswell A, Hawkins N, Langham S, Marshall D, Sadatsafavi M, Sullivan W, Wilson ECF, Wrightson T. Sampson CJ, et al. Pharmacoeconomics. 2019 Nov;37(11):1355-1369. doi: 10.1007/s40273-019-00819-z. Pharmacoeconomics. 2019. PMID: 31240636 Free PMC article. Review.
Preventing AI From Creating Biochemical Threats.
Urbina F, Lentzos F, Invernizzi C, Ekins S. Urbina F, et al. J Chem Inf Model. 2023 Feb 13;63(3):691-694. doi: 10.1021/acs.jcim.2c01616. Epub 2023 Jan 25. J Chem Inf Model. 2023. PMID: 36696568 Free PMC article.
A teachable moment for dual-use.
Urbina F, Lentzos F, Invernizzi C, Ekins S. Urbina F, et al. Nat Mach Intell. 2022 Jul;4(7):607. doi: 10.1038/s42256-022-00511-6. Epub 2022 Jul 12. Nat Mach Intell. 2022. PMID: 36393980 Free PMC article. No abstract available.
Multiple approaches to repurposing drugs for neuroblastoma.
Rank L, Puhl AC, Havener TM, Anderson E, Foil DH, Zorn KM, Monakhova N, Riabova O, Hickey AJ, Makarov V, Ekins S. Rank L, et al. Bioorg Med Chem. 2022 Nov 1;73:117043. doi: 10.1016/j.bmc.2022.117043. Epub 2022 Oct 4. Bioorg Med Chem. 2022. PMID: 36208544 Free PMC article.
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.
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. 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.
90 results