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Surrogate data--a secure way to share corporate data.
Tetko IV, Abagyan R, Oprea TI. Tetko IV, et al. J Comput Aided Mol Des. 2005 Sep-Oct;19(9-10):749-64. doi: 10.1007/s10822-005-9013-3. Epub 2005 Nov 3. J Comput Aided Mol Des. 2005. PMID: 16267691
Can we estimate the accuracy of ADME-Tox predictions?
Tetko IV, Bruneau P, Mewes HW, Rohrer DC, Poda GI. Tetko IV, et al. Drug Discov Today. 2006 Aug;11(15-16):700-7. doi: 10.1016/j.drudis.2006.06.013. Drug Discov Today. 2006. PMID: 16846797 Review.
Associative neural network.
Tetko IV. Tetko IV. Methods Mol Biol. 2008;458:185-202. doi: 10.1007/978-1-60327-101-1_10. Methods Mol Biol. 2008. PMID: 19065811
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set.
Sushko I, Novotarskyi S, Körner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Müller KR, Xi L, Liu H, Yao X, Öberg T, Hormozdiari F, Dao P, Sahinalp C, Todeschini R, Polishchuk P, Artemenko A, Kuz'min V, Martin TM, Young DM, Fourches D, Muratov E, Tropsha A, Baskin I, Horvath D, Marcou G, Muller C, Varnek A, Prokopenko VV, Tetko IV. Sushko I, et al. Among authors: tetko iv. J Chem Inf Model. 2010 Dec 27;50(12):2094-111. doi: 10.1021/ci100253r. Epub 2010 Oct 29. J Chem Inf Model. 2010. PMID: 21033656
141 results