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Evaluation of the applicability of existing (Q)SAR models for predicting the genotoxicity of pesticides and similarity analysis related with genotoxicity of pesticides for facilitating of grouping and read across: An EFSA funded project.
Benigni R, Serafimova R, Parra Morte JM, Battistelli CL, Bossa C, Giuliani A, Fioravanzo E, Bassan A, Gatnik MF, Rathman J, Yang C, Mostrag-Szlichtyng A, Sacher O, Tcheremenskaia O. Benigni R, et al. Among authors: rathman j. Regul Toxicol Pharmacol. 2020 Jul;114:104658. doi: 10.1016/j.yrtph.2020.104658. Epub 2020 Apr 22. Regul Toxicol Pharmacol. 2020. PMID: 32334037
QSAR modeling: where have you been? Where are you going to?
Cherkasov A, Muratov EN, Fourches D, Varnek A, Baskin II, Cronin M, Dearden J, Gramatica P, Martin YC, Todeschini R, Consonni V, Kuz'min VE, Cramer R, Benigni R, Yang C, Rathman J, Terfloth L, Gasteiger J, Richard A, Tropsha A. Cherkasov A, et al. Among authors: rathman j. J Med Chem. 2014 Jun 26;57(12):4977-5010. doi: 10.1021/jm4004285. Epub 2014 Jan 6. J Med Chem. 2014. PMID: 24351051 Free PMC article.
New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.
Yang C, Tarkhov A, Marusczyk J, Bienfait B, Gasteiger J, Kleinoeder T, Magdziarz T, Sacher O, Schwab CH, Schwoebel J, Terfloth L, Arvidson K, Richard A, Worth A, Rathman J. Yang C, et al. Among authors: rathman j. J Chem Inf Model. 2015 Mar 23;55(3):510-28. doi: 10.1021/ci500667v. Epub 2015 Feb 19. J Chem Inf Model. 2015. PMID: 25647539
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: rathman j. Mutagenesis. 2019 Mar 6;34(1):3-16. doi: 10.1093/mutage/gey031. Mutagenesis. 2019. PMID: 30357358 Free PMC article.
45 results