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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: sacher o. 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
COSMOS next generation - A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals.
Yang C, Cronin MTD, Arvidson KB, Bienfait B, Enoch SJ, Heldreth B, Hobocienski B, Muldoon-Jacobs K, Lan Y, Madden JC, Magdziarz T, Marusczyk J, Mostrag A, Nelms M, Neagu D, Przybylak K, Rathman JF, Park J, Richarz AN, Richard AM, Ribeiro JV, Sacher O, Schwab C, Vitcheva V, Volarath P, Worth AP. Yang C, et al. Among authors: sacher o. Comput Toxicol. 2021 Aug;19:100175. doi: 10.1016/j.comtox.2021.100175. Comput Toxicol. 2021. PMID: 34405124 Free PMC article.
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: sacher o. Regul Toxicol Pharmacol. 2020 Jul;114:104658. doi: 10.1016/j.yrtph.2020.104658. Epub 2020 Apr 22. Regul Toxicol Pharmacol. 2020. PMID: 32334037
Enabling the exploration of biochemical pathways.
Reitz M, Sacher O, Tarkhov A, Trumbach D, Gasteiger J. Reitz M, et al. Among authors: sacher o. Org Biomol Chem. 2004 Nov 21;2(22):3226-37. doi: 10.1039/B410949J. Epub 2004 Oct 22. Org Biomol Chem. 2004. PMID: 15534700