Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

Por Oprisiu, Ioana, Novotarskyi, Sergii, Tetko, Igor V
Publicado em 2013

Applicability domain for classification problems

Por Sushko, Iurii, Novotarskyi, S, Pandey, AK, Körner, R, Tetko, Igor
Publicado em 2010

In silico pK(a) prediction

Por Körner, Robert, Sushko, Iurii, Novotarskyi, Sergii, Tetko, Igor V
Publicado em 2012

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

Por Novotarskyi, Sergii, Sushko, Iurii, Koerner, Robert, Tetko, Igor V
Publicado em 2013

Classification of CYP450 1A2 inhibitors using PubChem data

Por Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Pandey, AK, Tetko, Igor
Publicado em 2010

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

Por Abdelaziz, Ahmed, Sushko, Iurii, Teetz, Wolfram, Körner, Robert, Novotarskyi, Sergii, Tetko, Igor V
Publicado em 2012

Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

Por Sushko, Yurii, Novotarskyi, Sergii, Körner, Robert, Vogt, Joachim, Abdelaziz, Ahmed, Tetko, Igor V
Publicado no J Cheminform (2014)

ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model

Por Novotarskyi, Sergii, Abdelaziz, Ahmed, Sushko, Yurii, Körner, Robert, Vogt, Joachim, Tetko, Igor V.
Publicado no Chem Res Toxicol (2016)

OCHEM - on-line CHEmical database & modeling environment

Por Novotarskyi Sergii, Sushko Iurii, Körner R, Kumar Anil, Rupp Matthias, Prokopenko VV, Tetko Igor
Publicado em 2010-05-01

OCHEM - on-line CHEmical database & modeling environment

Por Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Kumar, Anil Pandey, Rupp, Matthias, Prokopenko, VV, Tetko, Igor
Publicado em 2010

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

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

How Accurately Can We Predict the Melting Points of Drug-like Compounds?

Por Tetko, Igor V., Sushko, Yurii, Novotarskyi, Sergii, Patiny, Luc, Kondratov, Ivan, Petrenko, Alexander E., Charochkina, Larisa, Asiri, Abdullah M.
Publicado no J Chem Inf Model (2014)

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

Por Sushko, I, Pandey, AK, Novotarskyi, S, Körner, R, Rupp, M, Teetz, W, Brandmaier, S, Abdelaziz, A, Prokopenko, VV, Tanchuk, VY, Todeschini, R, Varnek, A, Marcou, G, Ertl, P, Potemkin, V, Grishina, M, Gasteiger, J, Baskin, II, Palyulin, VA, Radchenko, EV, Welsh, WJ, Kholodovych, V, Chekmarev, D, Cherkasov, A, Aires-de-Sousa, J, Zhang, Q-Y, Bender, A, Nigsch, F, Patiny, L, Williams, A, Tkachenko, V, Tetko, IV
Publicado em 2011

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

Por 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.
Publicado em 2011