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

Por Rudd, Stephen, Tetko, Igor V.
Publicado em 2005

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

Por Brandmaier, Stefan, Tetko, Igor V
Publicado em 2013

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

Por Vorberg, Susann, Tetko, Igor V.
Publicado no Mol Inform (2013)

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

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

Por Antonov, Alexey V., Tetko, Igor V., Mewes, Hans W.
Publicado em 2006

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

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

Por Tetko, Igor V., M. Lowe, Daniel, Williams, Antony J.
Publicado no J Cheminform (2016)

Super paramagnetic clustering of protein sequences

Por Tetko, Igor V, Facius, Axel, Ruepp, Andreas, Mewes, Hans-Werner
Publicado em 2005

Classification of CYP450 1A2 inhibitors using PubChem data

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

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

Por Abdelaziz, Ahmed M, Safanyaev, Alexander, Palyulin, Vladimir, Tetko, Igor V
Publicado em 2013

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

Por Tetko, Igor V, Jaroszewicz, I, Platts, J, Kuduk-Jaworska, J
Publicado no Chem Cent J (2008)

Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned task

Por Villa, Alessandro E. P., Tetko, Igor V., Hyland, Brian, Najem, Abdellatif
Publicado em 1999

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

Por Sushko, Iurii, Salmina, Elena, Potemkin, Vladimir A., Poda, Gennadiy, Tetko, Igor V.
Publicado em 2012

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry

Por Tetko, Igor V., Engkvist, Ola, Koch, Uwe, Reymond, Jean‐Louis, Chen, Hongming
Publicado no Mol Inform (2016)

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