OCHEM - on-line CHEmical database & modeling environment. - Sergii Novotarskyi; Iurii Sushko; Robert Körner; Anil Kumar Pandey; Matthias Rupp; Volodymyr V. Prokopenko; Igor V. Tetko (J. Cheminformatics, 2010)

Classification of CYP450 1A2 inhibitors using PubChem data. - Sergii Novotarskyi; Iurii Sushko; Robert Körner; Anil Kumar Pandey; Igor V. Tetko (J. Cheminformatics, 2010)

Applicability domain for classification problems. - Iurii Sushko; Sergii Novotarskyi; Anil Kumar Pandey; Robert Körner; Igor V. Tetko (J. Cheminformatics, 2010)

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Artem Cherkasov; Jiazhong Li; Paola Gramatica; Katja Hansen; Timon Schroeter; Klaus-Robert Müller; Lili Xi; Huanxiang Liu; et al. (J. Chem. Inf. Model., 2010)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - Iurii Sushko; Sergii Novotarskyi; Robert Körner; Anil Kumar Pandey; Matthias Rupp; Wolfram Teetz; Stefan Brandmaier; Ahmed Abdelaziz; Volodymyr V. Prokopenko; Vsevolod Yu. Tanchuk; Roberto Todeschini; Alexandre Varnek; et al. (J. Comput. Aided Mol. Des., 2011)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - Iurii Sushko; Anil Kumar Pandey; Sergii Novotarskyi; Robert Körner; Matthias Rupp; Wolfram Teetz; Stefan Brandmaier; Ahmed Abdelaziz; Volodymyr V. Prokopenko; Vsevolod Yu. Tanchuk; Roberto Todeschini; Alexandre Varnek; et al. (J. Cheminformatics, 2011)

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition. - Sergii Novotarskyi; Iurii Sushko; Robert Körner; Anil Kumar Pandey; Igor V. Tetko (J. Chem. Inf. Model., 2011)

QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework "OCHEM". - Ahmed Abdelaziz; Iurii Sushko; Wolfram Teetz; Robert Körner; Sergii Novotarskyi; Igor V. Tetko (J. Cheminformatics, 2012)

In silico pKa prediction. - Robert Körner; Iurii Sushko; Sergii Novotarskyi; Igor V. Tetko (J. Cheminformatics, 2012)

Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms. - Sergii Novotarskyi; Iurii Sushko; Robert Körner; Igor V. Tetko (J. Cheminformatics, 2013)

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM). - Ioana Oprisiu; Sergii Novotarskyi; Igor V. Tetko (J. Cheminformatics, 2013)

Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions. - Igor V. Tetko; Sergii Novotarskyi; Iurii Sushko; Vladimir Ivanov; Alexander E. Petrenko; Reiner Dieden; Florence Lebon; Benoît Mathieu (J. Chem. Inf. Model., 2013)

QSAR approaches to predict human cytochrome P450 inhibition (QSAR-basierter Ansatz zur Vorhersage der Enzymhemmung von humanem Cytochrom P450) - Sergii Novotarskyi (2013)

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process. - Yurii Sushko; Sergii Novotarskyi; Robert Körner; Joachim Vogt 001; Ahmed Abdelaziz; Igor V. Tetko (J. Cheminformatics, 2014)

How Accurately Can We Predict the Melting Points of Drug-like Compounds? - Igor V. Tetko; Yurii Sushko; Sergii Novotarskyi; Luc Patiny; Ivan Kondratov; Alexander E. Petrenko; Larisa Charochkina; Abdullah M. Asiri (J. Chem. Inf. Model., 2014)