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QSAR model for human pregnane X receptor (PXR) binding: screening of environmental chemicals and correlations with genotoxicity, endocrine disruption and teratogenicity.
Dybdahl M, Nikolov NG, Wedebye EB, Jónsdóttir SÓ, Niemelä JR. Dybdahl M, et al. Among authors: nikolov ng. Toxicol Appl Pharmacol. 2012 Aug 1;262(3):301-9. doi: 10.1016/j.taap.2012.05.008. Epub 2012 May 22. Toxicol Appl Pharmacol. 2012. PMID: 22627063
QSAR models for reproductive toxicity and endocrine disruption in regulatory use--a preliminary investigation.
Jensen GE, Niemelä JR, Wedebye EB, Nikolov NG. Jensen GE, et al. Among authors: nikolov ng. SAR QSAR Environ Res. 2008;19(7-8):631-41. doi: 10.1080/10629360802550473. SAR QSAR Environ Res. 2008. PMID: 19061080 Free PMC article.
QSAR models for P450 (2D6) substrate activity.
Ringsted T, Nikolov N, Jensen GE, Wedebye EB, Niemelä J. Ringsted T, et al. SAR QSAR Environ Res. 2009;20(3-4):309-25. doi: 10.1080/10629360902949195. SAR QSAR Environ Res. 2009. PMID: 19544194
QSAR models for anti-androgenic effect--a preliminary study.
Jensen GE, Nikolov NG, Wedebye EB, Ringsted T, Niemela JR. Jensen GE, et al. Among authors: nikolov ng. SAR QSAR Environ Res. 2011 Mar;22(1-2):35-49. doi: 10.1080/1062936X.2010.528981. SAR QSAR Environ Res. 2011. PMID: 21391140
Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis.
Jónsdóttir SÓ, Ringsted T, Nikolov NG, Dybdahl M, Wedebye EB, Niemelä JR. Jónsdóttir SÓ, et al. Among authors: nikolov ng. Bioorg Med Chem. 2012 Mar 15;20(6):2042-53. doi: 10.1016/j.bmc.2012.01.049. Epub 2012 Feb 4. Bioorg Med Chem. 2012. PMID: 22364953
Accessing and using chemical databases.
Nikolov N, Pavlov T, Niemelä JR, Mekenyan O. Nikolov N, et al. Methods Mol Biol. 2013;930:29-52. doi: 10.1007/978-1-62703-059-5_2. Methods Mol Biol. 2013. PMID: 23086836
hERG blocking potential of acids and zwitterions characterized by three thresholds for acidity, size and reactivity.
Nikolov NG, Dybdahl M, Jónsdóttir SÓ, Wedebye EB. Nikolov NG, et al. Bioorg Med Chem. 2014 Nov 1;22(21):6004-13. doi: 10.1016/j.bmc.2014.09.007. Epub 2014 Sep 28. Bioorg Med Chem. 2014. PMID: 25311565
QSAR screening of 70,983 REACH substances for genotoxic carcinogenicity, mutagenicity and developmental toxicity in the ChemScreen project.
Wedebye EB, Dybdahl M, Nikolov NG, Jónsdóttir SÓ, Niemelä JR. Wedebye EB, et al. Among authors: nikolov ng. Reprod Toxicol. 2015 Aug 1;55:64-72. doi: 10.1016/j.reprotox.2015.03.002. Epub 2015 Mar 19. Reprod Toxicol. 2015. PMID: 25797653
Raspberry ketone in food supplements--High intake, few toxicity data--A cause for safety concern?
Bredsdorff L, Wedebye EB, Nikolov NG, Hallas-Møller T, Pilegaard K. Bredsdorff L, et al. Among authors: nikolov ng. Regul Toxicol Pharmacol. 2015 Oct;73(1):196-200. doi: 10.1016/j.yrtph.2015.06.022. Epub 2015 Jul 6. Regul Toxicol Pharmacol. 2015. PMID: 26160596
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS. Mansouri K, et al. Among authors: nikolov ng. Environ Health Perspect. 2016 Jul;124(7):1023-33. doi: 10.1289/ehp.1510267. Epub 2016 Feb 23. Environ Health Perspect. 2016. PMID: 26908244 Free PMC article.
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