Éclair—a web service for unravelling species origin of sequences sampled from mixed host interfaces

by Rudd, Stephen, Tetko, Igor V.
Published 2005

Robustness in experimental design: A study on the reliability of selection approaches

by Brandmaier, Stefan, Tetko, Igor V
Published 2013

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

by Vorberg, Susann, Tetko, Igor V.
Published 2013

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

by Oprisiu, Ioana, Novotarskyi, Sergii, Tetko, Igor V
Published 2013

Super paramagnetic clustering of protein sequences

by Tetko, Igor V, Facius, Axel, Ruepp, Andreas, Mewes, Hans-Werner
Published 2005

A systematic approach to infer biological relevance and biases of gene network structures

by Antonov, Alexey V., Tetko, Igor V., Mewes, Hans W.
Published 2006

In silico pKa prediction

by Körner, Robert, Sushko, Iurii, Novotarskyi, Sergii, Tetko, Igor V
Published 2012

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

by Novotarskyi, Sergii, Sushko, Iurii, Koerner, Robert, Tetko, Igor V
Published 2013

Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators

by Abdelaziz, Ahmed M, Safanyaev, Alexander, Palyulin, Vladimir, Tetko, Igor V
Published 2013

The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS

by Tetko, Igor V., M. Lowe, Daniel, Williams, Antony J.
Published 2016

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

by Tetko, Igor V, Jaroszewicz, I, Platts, J, Kuduk-Jaworska, J
Published 2008

Spatiotemporal Expression Control Correlates with Intragenic Scaffold Matrix Attachment Regions (S/MARs) in Arabidopsis thaliana

by Tetko, Igor V, Haberer, Georg, Rudd, Stephen, Meyers, Blake, Mewes, Hans-Werner, Mayer, Klaus F. X
Published 2006

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

by Abdelaziz, Ahmed, Sushko, Iurii, Teetz, Wolfram, Körner, Robert, Novotarskyi, Sergii, Tetko, Igor V
Published 2012

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

by Sushko, Iurii, Salmina, Elena, Potemkin, Vladimir A., Poda, Gennadiy, Tetko, Igor V.
Published 2012

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

by Tetko, Igor V., Engkvist, Ola, Koch, Uwe, Reymond, Jean‐Louis, Chen, Hongming
Published 2016

Comparison of applicability domains of QSAR models: application to the modelling of the environmental toxicity against Tetrahymena pyriformis

by Tetko, Igor V, Tropsha, Alexander, Zhu, H, Papa, E, Gramatica, P, Öberg, T, Fourches, D, Varnek, A
Published 2008

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

by Sushko, Yurii, Novotarskyi, Sergii, Körner, Robert, Vogt, Joachim, Abdelaziz, Ahmed, Tetko, Igor V
Published 2014

Correction: Spatiotemporal Expression Control Correlates with Intragenic Scaffold Matrix Attachment Regions (S/MARs) in Arabidopsis thaliana

by Tetko, Igor V, Haberer, Georg, Rudd, Stephen, Meyers, Blake C, Mewes, Hans-Werner, Mayer, Klaus F. X
Published 2006

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

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

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

by Tetko, Igor V., Sushko, Yurii, Novotarskyi, Sergii, Patiny, Luc, Kondratov, Ivan, Petrenko, Alexander E., Charochkina, Larisa, Asiri, Abdullah M.
Published 2014