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2017 1
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Page 1
Alarms about structural alerts.
Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, Zakharov AV, Sedykh A, Mokshyna E, Farag S, Andrade C, Kuz'min V, Fourches D, Tropsha A. Alves V, et al. Green Chem. 2016 Aug 21;18(16):4348-4360. doi: 10.1039/C6GC01492E. Epub 2016 Jun 28. Green Chem. 2016. PMID: 28503093 Free PMC article.
Data set modelability by QSAR.
Golbraikh A, Muratov E, Fourches D, Tropsha A. Golbraikh A, et al. 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.
Toxicokinetic Triage for Environmental Chemicals.
Wambaugh JF, Wetmore BA, Pearce R, Strope C, Goldsmith R, Sluka JP, Sedykh A, Tropsha A, Bosgra S, Shah I, Judson R, Thomas RS, Setzer RW. Wambaugh JF, et al. Toxicol Sci. 2015 Sep;147(1):55-67. doi: 10.1093/toxsci/kfv118. Epub 2015 Jun 16. Toxicol Sci. 2015. PMID: 26085347 Free PMC article.
QSAR Modeling and Prediction of Drug-Drug Interactions.
Zakharov AV, Varlamova EV, Lagunin AA, Dmitriev AV, Muratov EN, Fourches D, Kuz'min VE, Poroikov VV, Tropsha A, Nicklaus MC. Zakharov AV, et al. Mol Pharm. 2016 Feb 1;13(2):545-56. doi: 10.1021/acs.molpharmaceut.5b00762. Epub 2016 Jan 5. Mol Pharm. 2016. PMID: 26669717
Chembench: A Publicly Accessible, Integrated Cheminformatics Portal.
Capuzzi SJ, Kim IS, Lam WI, Thornton TE, Muratov EN, Pozefsky D, Tropsha A. Capuzzi SJ, et al. J Chem Inf Model. 2017 Feb 27;57(2):105-108. doi: 10.1021/acs.jcim.6b00462. Epub 2017 Jan 19. J Chem Inf Model. 2017. PMID: 28045544 Free PMC article.
QSAR modeling: where have you been? Where are you going to?
Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica P, Martin YC, Todeschini R, Consonni V, Kuz'min VE, Cramer R, Benigni R, Yang C, Rathman J, Terfloth L, Gasteiger J, Richard A, Tropsha A. Cherkasov A, et al. J Med Chem. 2014 Jun 26;57(12):4977-5010. doi: 10.1021/jm4004285. Epub 2014 Jan 6. J Med Chem. 2014. PMID: 24351051 Free PMC article.
26 results