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Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project.
Honma M, Kitazawa A, Cayley A, Williams RV, Barber C, Hanser T, Saiakhov R, Chakravarti S, Myatt GJ, Cross KP, Benfenati E, Raitano G, Mekenyan O, Petkov P, Bossa C, Benigni R, Battistelli CL, Giuliani A, Tcheremenskaia O, DeMeo C, Norinder U, Koga H, Jose C, Jeliazkova N, Kochev N, Paskaleva V, Yang C, Daga PR, Clark RD, Rathman J. Honma M, et al. Among authors: mekenyan o. Mutagenesis. 2019 Mar 6;34(1):3-16. doi: 10.1093/mutage/gey031. Mutagenesis. 2019. PMID: 30357358 Free PMC article.
Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model.
Serafimova R, Todorov M, Pavlov T, Kotov S, Jacob E, Aptula A, Mekenyan O. Serafimova R, et al. Among authors: mekenyan o. Chem Res Toxicol. 2007 Apr;20(4):662-76. doi: 10.1021/tx6003369. Epub 2007 Mar 24. Chem Res Toxicol. 2007. PMID: 17381132
Recently, TIMES has been used to model bacterial mutagenicity [Mekenyan, O., Dimitrov, S., Serafimova, R., Thompson, E., Kotov, S., Dimitrova, N., and Walker, J. (2004) Identification of the structural requirements for mutagenicity by incorporating molecular flexibi …
Recently, TIMES has been used to model bacterial mutagenicity [Mekenyan, O., Dimitrov, S., Serafimova, R., Thompson, E., Kotov …
Investigating the relationship between in vitro-in vivo genotoxicity: derivation of mechanistic QSAR models for in vivo liver genotoxicity and in vivo bone marrow micronucleus formation which encompass metabolism.
Mekenyan OG, Petkov PI, Kotov SV, Stoeva S, Kamenska VB, Dimitrov SD, Honma M, Hayashi M, Benigni R, Donner EM, Patlewicz G. Mekenyan OG, et al. Chem Res Toxicol. 2012 Feb 20;25(2):277-96. doi: 10.1021/tx200547s. Epub 2012 Jan 24. Chem Res Toxicol. 2012. PMID: 22196229
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: mekenyan o. 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
96 results