Applicability domain for classification problems

由 Sushko, Iurii, Novotarskyi, S, Pandey, AK, Körner, R, Tetko, Igor
出版 2010

In silico pK(a) prediction

由 Körner, Robert, Sushko, Iurii, Novotarskyi, Sergii, Tetko, Igor V
出版 2012

Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms

由 Novotarskyi, Sergii, Sushko, Iurii, Koerner, Robert, Tetko, Igor V
出版 2013

Classification of CYP450 1A2 inhibitors using PubChem data

由 Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Pandey, AK, Tetko, Igor
出版 2010

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

由 Sushko, Iurii, Salmina, Elena, Potemkin, Vladimir A., Poda, Gennadiy, Tetko, Igor V.
出版 2012

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

由 Abdelaziz, Ahmed, Sushko, Iurii, Teetz, Wolfram, Körner, Robert, Novotarskyi, Sergii, Tetko, Igor V
出版 2012

OCHEM - on-line CHEmical database & modeling environment

由 Novotarskyi Sergii, Sushko Iurii, Körner R, Kumar Anil, Rupp Matthias, Prokopenko VV, Tetko Igor
出版 2010-05-01

OCHEM - on-line CHEmical database & modeling environment

由 Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Kumar, Anil Pandey, Rupp, Matthias, Prokopenko, VV, Tetko, Igor
出版 2010

Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions

由 Tetko, Igor V., Novotarskyi, Sergii, Sushko, Iurii, Ivanov, Vladimir, Petrenko, Alexander E., Dieden, Reiner, Lebon, Florence, Mathieu, Benoit
出版 2013

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

由 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.
出版 2011