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Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM).

Vorberg S, Tetko IV. Vorberg S, et al. Among authors: tetko iv. Mol Inform. 2014 Jan;33(1):73-85. doi: 10.1002/minf.201300030. Epub 2013 Nov 28. Mol Inform. 2014. PMID: 27485201 Free PMC article.

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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

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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.

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Beyond the 'best' match: machine learning annotation of protein sequences by integration of different sources of information.

Tetko IV, Rodchenkov IV, Walter MC, Rattei T, Mewes HW. Tetko IV, et al. Bioinformatics. 2008 Mar 1;24(5):621-8. doi: 10.1093/bioinformatics/btm633. Epub 2008 Jan 3. Bioinformatics. 2008. PMID: 18174184

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Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods.

Tetko IV, Jaroszewicz I, Platts JA, Kuduk-Jaworska J. Tetko IV, et al. J Inorg Biochem. 2008 Jul;102(7):1424-37. doi: 10.1016/j.jinorgbio.2007.12.029. Epub 2008 Jan 8. J Inorg Biochem. 2008. PMID: 18289687

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Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.

Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A. Tetko IV, et al. J Chem Inf Model. 2008 Sep;48(9):1733-46. doi: 10.1021/ci800151m. Epub 2008 Aug 26. J Chem Inf Model. 2008. PMID: 18729318

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MitoP2: an integrative tool for the analysis of the mitochondrial proteome.

Elstner M, Andreoli C, Ahting U, Tetko I, Klopstock T, Meitinger T, Prokisch H. Elstner M, et al. Mol Biotechnol. 2008 Nov;40(3):306-15. doi: 10.1007/s12033-008-9100-5. Epub 2008 Sep 9. Mol Biotechnol. 2008. PMID: 18780189 Review.

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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

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Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound.

Tetko IV, Poda GI, Ostermann C, Mannhold R. Tetko IV, et al. Chem Biodivers. 2009 Nov;6(11):1837-44. doi: 10.1002/cbdv.200900075. Chem Biodivers. 2009. PMID: 19937825

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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

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