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Knowledge-based approaches to drug discovery for rare diseases.
Alves VM, Korn D, Pervitsky V, Thieme A, Capuzzi SJ, Baker N, Chirkova R, Ekins S, Muratov EN, Hickey A, Tropsha A. Alves VM, et al. Among authors: tropsha a. Drug Discov Today. 2022 Feb;27(2):490-502. doi: 10.1016/j.drudis.2021.10.014. Epub 2021 Oct 27. Drug Discov Today. 2022. PMID: 34718207 Free PMC article. Review.
A turning point for blood-brain barrier modeling.
Ekins S, Tropsha A. Ekins S, et al. Among authors: tropsha a. Pharm Res. 2009 May;26(5):1283-4. doi: 10.1007/s11095-009-9832-3. Epub 2009 Jan 23. Pharm Res. 2009. PMID: 19165578 No abstract available.
Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches.
Low Y, Uehara T, Minowa Y, Yamada H, Ohno Y, Urushidani T, Sedykh A, Muratov E, Kuz'min V, Fourches D, Zhu H, Rusyn I, Tropsha A. Low Y, et al. Among authors: tropsha a. Chem Res Toxicol. 2011 Aug 15;24(8):1251-62. doi: 10.1021/tx200148a. Epub 2011 Jul 21. Chem Res Toxicol. 2011. PMID: 21699217 Free PMC article.
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening.
Zhang L, Fourches D, Sedykh A, Zhu H, Golbraikh A, Ekins S, Clark J, Connelly MC, Sigal M, Hodges D, Guiguemde A, Guy RK, Tropsha A. Zhang L, et al. Among authors: tropsha a. J Chem Inf Model. 2013 Feb 25;53(2):475-92. doi: 10.1021/ci300421n. Epub 2013 Jan 23. J Chem Inf Model. 2013. PMID: 23252936 Free PMC article.
Data set modelability by QSAR.
Golbraikh A, Muratov E, Fourches D, Tropsha A. Golbraikh A, et al. Among authors: tropsha a. J Chem Inf Model. 2014 Jan 27;54(1):1-4. doi: 10.1021/ci400572x. Epub 2014 Jan 8. J Chem Inf Model. 2014. PMID: 24251851 Free PMC article.
277 results