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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: bienfait b. Comput Toxicol. 2021 Aug;19:100175. doi: 10.1016/j.comtox.2021.100175. Comput Toxicol. 2021. PMID: 34405124 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: bienfait b. 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
JSME: a free molecule editor in JavaScript.
Bienfait B, Ertl P. Bienfait B, et al. J Cheminform. 2013 May 21;5:24. doi: 10.1186/1758-2946-5-24. eCollection 2013. J Cheminform. 2013. PMID: 23694746 Free PMC article.
Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.
Schuster D, Kern L, Hristozov DP, Terfloth L, Bienfait B, Laggner C, Kirchmair J, Grienke U, Wolber G, Langer T, Stuppner H, Gasteiger J, Rollinger JM. Schuster D, et al. Among authors: bienfait b. Comb Chem High Throughput Screen. 2010 Jan;13(1):54-66. doi: 10.2174/138620710790218212. Comb Chem High Throughput Screen. 2010. PMID: 20214575 Free PMC article.
Enhanced CACTVS browser of the Open NCI Database.
Ihlenfeldt WD, Voigt JH, Bienfait B, Oellien F, Nicklaus MC. Ihlenfeldt WD, et al. Among authors: bienfait b. J Chem Inf Comput Sci. 2002 Jan-Feb;42(1):46-57. doi: 10.1021/ci010056s. J Chem Inf Comput Sci. 2002. PMID: 11855965
27 results