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Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
Béquignon OJM, Gómez-Tamayo JC, Lenselink EB, Wink S, Hiemstra S, Lam CC, Gadaleta D, Roncaglioni A, Norinder U, Water BV, Pastor M, van Westen GJP. Béquignon OJM, et al. Among authors: roncaglioni a. J Chem Inf Model. 2023 Sep 11;63(17):5433-5445. doi: 10.1021/acs.jcim.3c00220. Epub 2023 Aug 24. J Chem Inf Model. 2023. PMID: 37616385 Free PMC article.
New public QSAR model for carcinogenicity.
Fjodorova N, Vracko M, Novic M, Roncaglioni A, Benfenati E. Fjodorova N, et al. Among authors: roncaglioni a. Chem Cent J. 2010 Jul 29;4 Suppl 1(Suppl 1):S3. doi: 10.1186/1752-153X-4-S1-S3. Chem Cent J. 2010. PMID: 20678182 Free PMC article.
A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH.
Nendza M, Gabbert S, Kühne R, Lombardo A, Roncaglioni A, Benfenati E, Benigni R, Bossa C, Strempel S, Scheringer M, Fernández A, Rallo R, Giralt F, Dimitrov S, Mekenyan O, Bringezu F, Schüürmann G. Nendza M, et al. Among authors: roncaglioni a. Regul Toxicol Pharmacol. 2013 Aug;66(3):301-14. doi: 10.1016/j.yrtph.2013.05.007. Epub 2013 May 21. Regul Toxicol Pharmacol. 2013. PMID: 23707536
Identification of the structural requirements of the receptor-binding affinity of diphenolic azoles to estrogen receptors alpha and beta by three-dimensional quantitative structure-activity relationship and structure-activity relationship analysis.
Demyttenaere-Kovatcheva A, Cronin MT, Benfenati E, Roncaglioni A, Lopiparo E. Demyttenaere-Kovatcheva A, et al. Among authors: roncaglioni a. J Med Chem. 2005 Dec 1;48(24):7628-36. doi: 10.1021/jm050604j. J Med Chem. 2005. PMID: 16302803
Evaluation of QSAR models for the prediction of ames genotoxicity: a retrospective exercise on the chemical substances registered under the EU REACH regulation.
Cassano A, Raitano G, Mombelli E, Fernández A, Cester J, Roncaglioni A, Benfenati E. Cassano A, et al. Among authors: roncaglioni a. J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2014;32(3):273-98. doi: 10.1080/10590501.2014.938955. J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2014. PMID: 25226221
A large comparison of integrated SAR/QSAR models of the Ames test for mutagenicity$.
Benfenati E, Golbamaki A, Raitano G, Roncaglioni A, Manganelli S, Lemke F, Norinder U, Lo Piparo E, Honma M, Manganaro A, Gini G. Benfenati E, et al. Among authors: roncaglioni a. SAR QSAR Environ Res. 2018 Aug;29(8):591-611. doi: 10.1080/1062936X.2018.1497702. Epub 2018 Jul 27. SAR QSAR Environ Res. 2018. PMID: 30052064
86 results