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In Silico Systems Pharmacology to Assess Drug's Therapeutic and Toxic Effects.
Aguayo-Orozco A, Audouze K, Brunak S, Taboureau O. Aguayo-Orozco A, et al. Curr Pharm Des. 2016;22(46):6895-6902. doi: 10.2174/1381612822666160907093215. Curr Pharm Des. 2016. PMID: 27604605 Review.
Adverse outcome pathways: opportunities, limitations and open questions.
Leist M, Ghallab A, Graepel R, Marchan R, Hassan R, Bennekou SH, Limonciel A, Vinken M, Schildknecht S, Waldmann T, Danen E, van Ravenzwaay B, Kamp H, Gardner I, Godoy P, Bois FY, Braeuning A, Reif R, Oesch F, Drasdo D, Höhme S, Schwarz M, Hartung T, Braunbeck T, Beltman J, Vrieling H, Sanz F, Forsby A, Gadaleta D, Fisher C, Kelm J, Fluri D, Ecker G, Zdrazil B, Terron A, Jennings P, van der Burg B, Dooley S, Meijer AH, Willighagen E, Martens M, Evelo C, Mombelli E, Taboureau O, Mantovani A, Hardy B, Koch B, Escher S, van Thriel C, Cadenas C, Kroese D, van de Water B, Hengstler JG. Leist M, et al. Arch Toxicol. 2017 Nov;91(11):3477-3505. doi: 10.1007/s00204-017-2045-3. Epub 2017 Oct 19. Arch Toxicol. 2017. PMID: 29051992 Review.
Network-based Approaches in Pharmacology.
Boezio B, Audouze K, Ducrot P, Taboureau O. Boezio B, et al. Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700048. Epub 2017 Jul 10. Mol Inform. 2017. PMID: 28692140 Review.
ChemProt-3.0: a global chemical biology diseases mapping.
Kringelum J, Kjaerulff SK, Brunak S, Lund O, Oprea TI, Taboureau O. Kringelum J, et al. Database (Oxford). 2016 Feb 13;2016:bav123. doi: 10.1093/database/bav123. Print 2016. Database (Oxford). 2016. PMID: 26876982 Free PMC article.
Of possible cheminformatics futures.
Oprea TI, Taboureau O, Bologa CG. Oprea TI, et al. J Comput Aided Mol Des. 2012 Jan;26(1):107-12. doi: 10.1007/s10822-011-9535-9. Epub 2011 Dec 30. J Comput Aided Mol Des. 2012. PMID: 22207193
The effect of network biology on drug toxicology.
Gautier L, Taboureau O, Audouze K. Gautier L, et al. Expert Opin Drug Metab Toxicol. 2013 Nov;9(11):1409-18. doi: 10.1517/17425255.2013.820704. Epub 2013 Aug 12. Expert Opin Drug Metab Toxicol. 2013. PMID: 23937336 Review.
In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology.
Taboureau O, Jørgensen FS. Taboureau O, et al. Comb Chem High Throughput Screen. 2011 Jun 1;14(5):375-87. doi: 10.2174/138620711795508322. Comb Chem High Throughput Screen. 2011. PMID: 21470179 Review.
ChemProt: a disease chemical biology database.
Taboureau O, Nielsen SK, Audouze K, Weinhold N, Edsgärd D, Roque FS, Kouskoumvekaki I, Bora A, Curpan R, Jensen TS, Brunak S, Oprea TI. Taboureau O, et al. Nucleic Acids Res. 2011 Jan;39(Database issue):D367-72. doi: 10.1093/nar/gkq906. Epub 2010 Oct 8. Nucleic Acids Res. 2011. PMID: 20935044 Free PMC article.
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