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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
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Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil Kumar ; Rupp, Matthias ; Teetz, Wolfram ; Brandmaier, Stefan ; Abdelaziz, Ahmed ; Prokopenko, Volodymyr V ; Tanchuk, Vsevolod Y ; Todeschini, Roberto ; Varnek, Alexandre ; Marcou, Gilles ; Ertl, Peter ; Potemkin, Vladimir ; Grishina, Maria ; Gasteiger, Johann ; Schwab, Christof ; Baskin, Igor I ; Palyulin, Vladimir A ; Radchenko, Eugene V ; Welsh, William J ; Kholodovych, Vladyslav ; Chekmarev, Dmitriy ; Cherkasov, Artem ; Aires-de-Sousa, Joao ; Zhang, Qing-You ; Bender, Andreas ; Nigsch, Florian ; Patiny, Luc ; Williams, Antony ; Tkachenko, Valery ; Tetko, Igor V

Journal of computer-aided molecular design, 2011-06-10, Vol.25 (6), p.533-554 [Peer Reviewed Journal]

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2
QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”
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QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”

Abdelaziz, Ahmed ; Sushko, Iurii ; Teetz, Wolfram ; Körner, Robert ; Novotarskyi, Sergii ; Tetko, Igor V

Journal of cheminformatics, 2012-12, Vol.4 (S1), p.P62-P62 [Peer Reviewed Journal]

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3
Classification of CYP450 1A2 inhibitors using PubChem data
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Classification of CYP450 1A2 inhibitors using PubChem data

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, R ; Pandey, AK ; Tetko, Igor

Journal of cheminformatics, 2010-05, Vol.2 (S1), p.1-1 [Peer Reviewed Journal]

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4
Applicability domain for classification problems
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Applicability domain for classification problems

Sushko, Iurii ; Novotarskyi, S ; Pandey, AK ; Körner, R ; Tetko, Igor

Journal of cheminformatics, 2010-05, Vol.2 (S1), p.1-1 [Peer Reviewed Journal]

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5
OCHEM - on-line CHEmical database & modeling environment
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OCHEM - on-line CHEmical database & modeling environment

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, R ; Kumar, Pandey Anil ; Rupp, Matthias ; Prokopenko, VV ; Tetko, Igor

Journal of cheminformatics, 2010-05, Vol.2 (S1), p.1-1 [Peer Reviewed Journal]

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6
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, Robert ; Pandey, Anil Kumar ; Tetko, Igor V

Journal of chemical information and modeling, 2011-06-27, Vol.51 (6), p.1271-1280 [Peer Reviewed Journal]

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7
Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection
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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, Igor V ; Sushko, Iurii ; Pandey, Anil Kumar ; Zhu, Hao ; Tropsha, Alexander ; Papa, Ester ; Öberg, Tomas ; Todeschini, Roberto ; Fourches, Denis ; Varnek, Alexandre

Journal of chemical information and modeling, 2008, Vol.48 (9), p.1733

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