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Machine Learning Strategies When Transitioning between Biological Assays.
Arvidsson McShane S, Ahlberg E, Noeske T, Spjuth O. Arvidsson McShane S, et al. Among authors: noeske t. J Chem Inf Model. 2021 Jul 26;61(7):3722-3733. doi: 10.1021/acs.jcim.1c00293. Epub 2021 Jun 21. J Chem Inf Model. 2021. PMID: 34152755 Free PMC article.
Ligand-based target prediction with signature fingerprints.
Alvarsson J, Eklund M, Engkvist O, Spjuth O, Carlsson L, Wikberg JE, Noeske T. Alvarsson J, et al. Among authors: noeske t. J Chem Inf Model. 2014 Oct 27;54(10):2647-53. doi: 10.1021/ci500361u. Epub 2014 Oct 3. J Chem Inf Model. 2014. PMID: 25230336
Flagging Drugs That Inhibit the Bile Salt Export Pump.
Montanari F, Pinto M, Khunweeraphong N, Wlcek K, Sohail MI, Noeske T, Boyer S, Chiba P, Stieger B, Kuchler K, Ecker GF. Montanari F, et al. Among authors: noeske t. Mol Pharm. 2016 Jan 4;13(1):163-71. doi: 10.1021/acs.molpharmaceut.5b00594. Epub 2015 Dec 21. Mol Pharm. 2016. PMID: 26642869 Free article.
In silico approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.
Bassan A, Alves VM, Amberg A, Anger LT, Auerbach S, Beilke L, Bender A, Cronin MTD, Cross KP, Hsieh JH, Greene N, Kemper R, Kim MT, Mumtaz M, Noeske T, Pavan M, Pletz J, Russo DP, Sabnis Y, Schaefer M, Szabo DT, Valentin JP, Wichard J, Williams D, Woolley D, Zwickl C, Myatt GJ. Bassan A, et al. Among authors: noeske t. Comput Toxicol. 2021 Nov;20:100187. doi: 10.1016/j.comtox.2021.100187. Epub 2021 Sep 9. Comput Toxicol. 2021. PMID: 35340402 Free PMC article.
Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687).
Barlind JG, Bauer UA, Birch AM, Birtles S, Buckett LK, Butlin RJ, Davies RD, Eriksson JW, Hammond CD, Hovland R, Johannesson P, Johansson MJ, Kemmitt PD, Lindmark BT, Morentin Gutierrez P, Noeske TA, Nordin A, O'Donnell CJ, Petersson AU, Redzic A, Turnbull AV, Vinblad J. Barlind JG, et al. Among authors: noeske ta. J Med Chem. 2012 Dec 13;55(23):10610-29. doi: 10.1021/jm301296t. Epub 2012 Nov 21. J Med Chem. 2012. PMID: 23116186
Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels in vivo in obese Zucker rats.
Bengtsson C, Blaho S, Saitton DB, Brickmann K, Broddefalk J, Davidsson O, Drmota T, Folmer R, Hallberg K, Hallén S, Hovland R, Isin E, Johannesson P, Kull B, Larsson LO, Löfgren L, Nilsson KE, Noeske T, Oakes N, Plowright AT, Schnecke V, Ståhlberg P, Sörme P, Wan H, Wellner E, Oster L. Bengtsson C, et al. Among authors: noeske t. Bioorg Med Chem. 2011 May 15;19(10):3039-53. doi: 10.1016/j.bmc.2011.04.014. Epub 2011 Apr 13. Bioorg Med Chem. 2011. PMID: 21515056
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