Igor V. Tetko

118 papers B 2C 1Journal 84Unranked 9
YearRankTypeTitle / Venue / Authors
2026 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2025 - 34th International Conference on Artificial Neural Networks, Kaunas, Lithuania, September 9-12, 2025, Proceedings, Part I
ICANN (1)
Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor K. Jirsa, Yoshua Bengio
2026 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2025 - 34th International Conference on Artificial Neural Networks, Kaunas, Lithuania, September 9-12, 2025, Proceedings, Part II
ICANN (2)
Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor K. Jirsa, Yoshua Bengio
2026 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2025 - 34th International Conference on Artificial Neural Networks, Kaunas, Lithuania, September 9-12, 2025, Proceedings, Part III
ICANN (3)
Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor K. Jirsa, Yoshua Bengio
2026 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2025 - 34th International Conference on Artificial Neural Networks, Kaunas, Lithuania, September 9-12, 2025, Proceedings, Part IV
ICANN (4)
Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor K. Jirsa, Yoshua Bengio
2026 — ed.
Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions - 34th International Conference on Artificial Neural Networks, Kaunas, Lithuania, September 9-12, 2025, Proceedings, Part V
ICANN (5)
Walter Senn, Marcello Sanguineti, Ausra Saudargiene, Igor V. Tetko, Alessandro E. P. Villa, Viktor K. Jirsa, Yoshua Bengio
2026 J jnl
SEISMO: Increasing Sample Efficiency in Molecular Optimization with a Trajectory-Aware LLM Agent.
CoRR
Fabian Krüger, Andrea Hunklinger, Adrian Wolny, Tim J. Adler, Igor V. Tetko, Santiago David Villalba
2025 — ed.
AI in Drug Discovery - First International Workshop, AIDD 2024, Held in Conjunction with ICANN 2024, Lugano, Switzerland, September 19, 2024, Proceedings
AIDD@ICANN
Djork-Arné Clevert, Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2025 J jnl
Advanced machine learning for innovative drug discovery.
J. Cheminformatics
Igor V. Tetko, Djork-Arné Clevert
2025 — conf
Consensus Prediction of Chemical Reactions with OCHEM-R Platform.
ICANN (5)
Igor V. Tetko, Guillaume Godin, Kevin Maik Jablonka, Adrian Mirza, Luc Patiny
2025 J jnl
Improving route development using convergent retrosynthesis planning.
J. Cheminformatics
Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
2025 J jnl
Investigations into the Efficiency of Computer-Aided Synthesis Planning.
J. Chem. Inf. Model.
Peter B. R. Hartog, Annie M. Westerlund, Igor V. Tetko, Samuel Genheden
2025 — conf
MolEncoder: Improved Masked Language Modeling for Molecules.
ICANN (5)
Fabian Krüger, Nicklas Österbacka, Mikhail Kabeshov, Ola Engkvist, Igor V. Tetko
2025 J jnl
Publishing neural networks in drug discovery might compromise training data privacy.
J. Cheminformatics
Fabian Krüger, Johan Östman, Lewis H. Mervin, Igor V. Tetko, Ola Engkvist
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part I
ICANN (1)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part II
ICANN (2)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part III
ICANN (3)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part IV
ICANN (4)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part IX
ICANN (9)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part V
ICANN (5)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part VI
ICANN (6)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part VII
ICANN (7)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part VIII
ICANN (8)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2024 - 33rd International Conference on Artificial Neural Networks, Lugano, Switzerland, September 17-20, 2024, Proceedings, Part X
ICANN (10)
Michael Wand, Kristína Malinovská, Jürgen Schmidhuber, Igor V. Tetko
2024 J jnl
Be aware of overfitting by hyperparameter optimization!
CoRR
Igor V. Tetko, Ruud van Deursen, Guillaume Godin
2024 J jnl
Be aware of overfitting by hyperparameter optimization!
J. Cheminformatics
Igor V. Tetko, Ruud van Deursen, Guillaume Godin
2024 J jnl
Publishing Neural Networks in Drug Discovery Might Compromise Training Data Privacy.
CoRR
Fabian Krüger, Johan Östman, Lewis H. Mervin, Igor V. Tetko, Ola Engkvist
2024 — conf
Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse.
AIDD@ICANN
Peter B. R. Hartog, Emma Svensson, Lewis H. Mervin, Samuel Genheden, Ola Engkvist, Igor V. Tetko
2024 J jnl
Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition.
J. Cheminformatics
Peter B. R. Hartog, Fabian Krüger, Samuel Genheden, Igor V. Tetko
2024 J jnl
When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges.
J. Chem. Inf. Model.
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V. Tetko
2023 J jnl
Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning.
CoRR
Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden, Jonas Verhoeven, Djork-Arné Clevert, Mike Preuss, Igor V. Tetko
2022 J jnl
Mind the Retrosynthesis Gap: Bridging the divide between Single-step and Multi-step Retrosynthesis Prediction.
CoRR
Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden, Jonas Verhoeven, Mike Preuss, Igor V. Tetko
2022 J jnl
What Features of Ligands Are Relevant to the Opening of Cryptic Pockets in Drug Targets?
Informatics
Zhonghua Xia, Pavel Karpov, Grzegorz M. Popowicz, Michael Sattler, Igor V. Tetko
2020 J jnl
Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis.
CoRR
Igor V. Tetko, Pavel Karpov, Ruud van Deursen, Guillaume Godin
2020 J jnl
Beyond Chemical 1D knowledge using Transformers.
CoRR
Ruud van Deursen, Igor V. Tetko, Guillaume Godin
2020 J jnl
Focused Library Generator: case of Mdmx inhibitors.
J. Comput. Aided Mol. Des.
Zhonghua Xia, Pavel Karpov, Grzegorz M. Popowicz, Igor V. Tetko
2020 J jnl
From Big Data to Artificial Intelligence: chemoinformatics meets new challenges.
J. Cheminformatics
Igor V. Tetko, Ola Engkvist
2020 J jnl
GEN: highly efficient SMILES explorer using autodidactic generative examination networks.
J. Cheminformatics
Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
2020 J jnl
Joint Virtual Special Issue on Computational Toxicology.
J. Chem. Inf. Model.
Igor V. Tetko, Alexander Tropsha
2020 J jnl
QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping.
J. Cheminformatics
Ctibor Skuta, Isidro Cortes-Ciriano, Wim Dehaen, Pavel Kríz, Gerard J. P. van Westen, Igor V. Tetko, Andreas Bender, Daniel Svozil
2020 J jnl
Transformer-CNN: Swiss knife for QSAR modeling and interpretation.
J. Cheminformatics
Pavel Karpov, Guillaume Godin, Igor V. Tetko
2019 — conf
A Transformer Model for Retrosynthesis.
ICANN (Workshop)
Pavel Karpov, Guillaume Godin, Igor V. Tetko
2019 — conf
Analysis and Modelling of False Positives in GPCR Assays.
ICANN (Workshop)
Dipan Ghosh, Igor V. Tetko, Bert Klebl, Peter Nussbaumer, Uwe Koch
2019 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2019 - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings - Workshop and Special Sessions
ICANN (Workshop)
Igor V. Tetko, Vera Kurková, Pavel Karpov, Fabian J. Theis
2019 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2019: Deep Learning - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part II
ICANN (2)
Igor V. Tetko, Vera Kurková, Pavel Karpov, Fabian J. Theis
2019 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2019: Image Processing - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part III
ICANN (3)
Igor V. Tetko, Vera Kurková, Pavel Karpov, Fabian J. Theis
2019 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2019: Text and Time Series - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part IV
ICANN (4)
Igor V. Tetko, Vera Kurková, Pavel Karpov, Fabian J. Theis
2019 — ed.
Artificial Neural Networks and Machine Learning - ICANN 2019: Theoretical Neural Computation - 28th International Conference on Artificial Neural Networks, Munich, Germany, September 17-19, 2019, Proceedings, Part I
ICANN (1)
Igor V. Tetko, Vera Kurková, Pavel Karpov, Fabian J. Theis
2019 — conf
Augmentation Is What You Need!
ICANN (Workshop)
Igor V. Tetko, Pavel Karpov, Eric Bruno, Talia B. Kimber, Guillaume Godin
2019 J jnl
Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space.
J. Chem. Inf. Model.
Sergey Sosnin, Dmitry Karlov, Igor V. Tetko, Maxim V. Fedorov
2019 J jnl
GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks.
CoRR
Ruud van Deursen, Peter Ertl, Igor V. Tetko, Guillaume Godin
2019 J jnl
Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions.
CoRR
Fabio Capela, Vincent Nouchi, Ruud van Deursen, Igor V. Tetko, Guillaume Godin
2019 J jnl
Transformer-CNN: Fast and Reliable tool for QSAR.
CoRR
Pavel Karpov, Guillaume Godin, Igor V. Tetko
2018 J jnl
Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays.
J. Chem. Inf. Model.
Dipan Ghosh, Uwe Koch, Kamyar Hadian, Michael Sattler, Igor V. Tetko
2018 J jnl
Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction.
CoRR
Talia B. Kimber, Sebastian Engelke, Igor V. Tetko, Eric Bruno, Guillaume Godin
2016 J jnl
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS.
J. Cheminformatics
Igor V. Tetko, Daniel M. Lowe, Antony J. Williams
2014 J jnl
How Accurately Can We Predict the Melting Points of Drug-like Compounds?
J. Chem. Inf. Model.
Igor V. Tetko, Yurii Sushko, Sergii Novotarskyi, Luc Patiny, Ivan Kondratov, Alexander E. Petrenko, Larisa Charochkina, Abdullah M. Asiri
2014 J jnl
Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process.
J. Cheminformatics
Yurii Sushko, Sergii Novotarskyi, Robert Körner, Joachim Vogt, Ahmed Abdelaziz, Igor V. Tetko
2013 J jnl
Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators.
J. Cheminformatics
Ahmed Abdelaziz, Alexander Safanyaev, Vladimir A. Palyulin, Igor V. Tetko
2013 J jnl
Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms.
J. Cheminformatics
Sergii Novotarskyi, Iurii Sushko, Robert Körner, Igor V. Tetko
2013 J jnl
Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions.
J. Chem. Inf. Model.
Igor V. Tetko, Sergii Novotarskyi, Iurii Sushko, Vladimir Ivanov, Alexander E. Petrenko, Reiner Dieden, Florence Lebon, Benoît Mathieu
2013 J jnl
Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM).
J. Cheminformatics
Ioana Oprisiu, Sergii Novotarskyi, Igor V. Tetko
2012 J jnl
In silico pK
J. Cheminformatics
Robert Körner, Iurii Sushko, Sergii Novotarskyi, Igor V. Tetko
2012 J jnl
PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables.
J. Chem. Inf. Model.
Stefan Brandmaier, Ullrika Sahlin, Igor V. Tetko, Tomas Öberg
2012 J jnl
QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework "OCHEM".
J. Cheminformatics
Ahmed Abdelaziz, Iurii Sushko, Wolfram Teetz, Robert Körner, Sergii Novotarskyi, Igor V. Tetko
2012 J jnl
The perspectives of computational chemistry modeling.
J. Comput. Aided Mol. Des.
Igor V. Tetko
2012 J jnl
ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions.
J. Chem. Inf. Model.
Iurii Sushko, Elena Salmina, Vladimir Potemkin, Gennadiy Poda, Igor V. Tetko
2011 J jnl
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.
J. Chem. Inf. Model.
Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Igor V. Tetko
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des.
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, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics
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, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko
2010 J jnl
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model.
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, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Süleyman Cenk Sahinalp, Roberto Todeschini, Pavel G. Polishchuk, Anatoly G. Artemenko, Victor Kuzmin, Todd M. Martin, Douglas M. Young, Denis Fourches, Eugene N. Muratov, Alexander Tropsha, Igor I. Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexandre Varnek, Volodymyr V. Prokopenko, Igor V. Tetko
2010 J jnl
Applicability domain for classification problems.
J. Cheminformatics
Iurii Sushko, Sergii Novotarskyi, Anil Kumar Pandey, Robert Körner, Igor V. Tetko
2010 J jnl
Classification of CYP450 1A2 inhibitors using PubChem data.
J. Cheminformatics
Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Igor V. Tetko
2010 J jnl
OCHEM - on-line CHEmical database & modeling environment.
J. Cheminformatics
Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Volodymyr V. Prokopenko, Igor V. Tetko
2009 — ch.
Associative Neural Network.
Artificial Neural Networks
Igor V. Tetko
2009 J jnl
Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients.
J. Chem. Inf. Model.
Alexandre Varnek, Cédric Gaudin, Gilles Marcou, Igor I. Baskin, Anil Kumar Pandey, Igor V. Tetko
2008 J jnl
Beyond the "best" match: machine learning annotation of protein sequences by integration of different sources of information.
Bioinform.
Igor V. Tetko, Igor V. Rodchenkov, Mathias C. Walter, Thomas Rattei, Hans-Werner Mewes
2008 J jnl
Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis.
J. Chem. Inf. Model.
Hao Zhu, Alexander Tropsha, Denis Fourches, Alexandre Varnek, Ester Papa, Paola Gramatica, Tomas Öberg, Phuong Dao, Artem Cherkasov, Igor V. Tetko
2008 J jnl
Critical Assessment of QSAR Models of Environmental Toxicity against
J. Chem. Inf. Model.
Igor V. Tetko, Iurii Sushko, Anil Kumar Pandey, Hao Zhu, Alexander Tropsha, Ester Papa, Tomas Öberg, Roberto Todeschini, Denis Fourches, Alexandre Varnek
2008 J jnl
FunCat functional inference with belief propagation and feature integration.
Comput. Biol. Chem.
Dimitrij Surmeli, Oliver Ratmann, Hans-Werner Mewes, Igor V. Tetko
2007 J jnl
Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately Can We Predict Melting Points?
J. Chem. Inf. Model.
Alexandre Varnek, Natalia V. Kireeva, Igor V. Tetko, Igor I. Baskin, Vitaly P. Solov'ev
2006 J jnl
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores.
J. Chem. Inf. Model.
Igor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek
2006 J jnl
Correction: Spatiotemporal Expression Control Correlates with Intragenic Scaffold Matrix Attachment Regions (S/MARs) in
PLoS Comput. Biol.
Igor V. Tetko, Georg Haberer, Stephen Rudd, Blake C. Meyers, Hans-Werner Mewes, Klaus F. X. Mayer
2006 J jnl
Spatiotemporal Expression Control Correlates with Intragenic Scaffold Matrix Attachment Regions (S/MARs) in
PLoS Comput. Biol.
Igor V. Tetko, Georg Haberer, Stephen Rudd, Blake C. Meyers, Hans-Werner Mewes, Klaus F. X. Mayer
2006 J jnl
The Mouse Functional Genome Database (MfunGD): functional annotation of proteins in the light of their cellular context.
Nucleic Acids Res.
Andreas Ruepp, Octave Noubibou Doudieu, Jos van den Oever, Barbara Brauner, Irmtraud Dunger-Kaltenbach, Gisela Fobo, Goar Frishman, Corinna Montrone, Christine Skornia, Steffi Wanka, Thomas Rattei, Philipp Pagel, M. Louise Riley, Dmitrij Frishman, Dimitrij Surmeli, Igor V. Tetko, Matthias Oesterheld, Volker Stümpflen, Hans-Werner Mewes
2005 — conf
Exploiting scale-free information from expression data for cancer classification.
German Conference on Bioinformatics
Alexey V. Antonov, Igor V. Tetko, Denis Kosykh, Dimitrij Surmeli, Hans-Werner Mewes
2005 J jnl
Exploiting scale-free information from expression data for cancer classification.
Comput. Biol. Chem.
Alexey V. Antonov, Igor V. Tetko, Denis Kosykh, Dimitrij Surmeli, Hans-Werner Mewes
2005 J jnl
Gene selection from microarray data for cancer classification - a machine learning approach.
Comput. Biol. Chem.
Yu Wang, Igor V. Tetko, Mark A. Hall, Eibe Frank, Axel Facius, Klaus F. X. Mayer, Hans-Werner Mewes
2005 J jnl
MIPS bacterial genomes functional annotation benchmark dataset.
Bioinform.
Igor V. Tetko, Barbara Brauner, Irmtraud Dunger-Kaltenbach, Goar Frishman, Corinna Montrone, Gisela Fobo, Andreas Ruepp, Alexey V. Antonov, Dimitrij Surmeli, Hans-Werner Mewes
2005 J jnl
Super paramagnetic clustering of protein sequences.
BMC Bioinform.
Igor V. Tetko, Axel Facius, Andreas Ruepp, Hans-Werner Mewes
2005 J jnl
Support vector machines for separation of mixed plant?Cpathogen EST collections based on codon usage.
Bioinform.
Caroline C. Friedel, Katharina H. V. Jahn, Selina Sommer, Stephen Rudd, Hans-Werner Mewes, Igor V. Tetko
2005 J jnl
Surrogate data - a secure way to share corporate data.
J. Comput. Aided Mol. Des.
Igor V. Tetko, Ruben Abagyan, Tudor I. Oprea
2005 J jnl
Virtual Computational Chemistry Laboratory - Design and Description.
J. Comput. Aided Mol. Des.
Igor V. Tetko, Johann Gasteiger, Roberto Todeschini, Andrea Mauri, David J. Livingstone, Peter Ertl, Vladimir A. Palyulin, Eugene V. Radchenko, Nikolai S. Zefirov, Alexander S. Makarenko, Vsevolod Yu. Tanchuk, Volodymyr V. Prokopenko
2005 J jnl
Éclair - a web service for unravelling species origin of sequences sampled from mixed host interfaces.
Nucleic Acids Res.
Stephen Rudd, Igor V. Tetko
2004 J jnl
A web portal for classification of expression data using maximal margin linear programming.
Bioinform.
Alexey V. Antonov, Igor V. Tetko, Volodymyr V. Prokopenko, Denis Kosykh, Hans-Werner Mewes
2004 J jnl
Optimization models for cancer classification: extracting gene interaction information from microarray expression data.
Bioinform.
Alexey V. Antonov, Igor V. Tetko, Michael T. Mader, Jan Budczies, Hans-Werner Mewes
2003 — conf
Exploiting gene interaction information from microarray expression data for cancer classification.
German Conference on Bioinformatics
Alexey V. Antonov, Igor V. Tetko, Michael T. Mader, Jan Budczies, Hans-Werner Mewes
2002 J jnl
Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Vsevolod Yu. Tanchuk
2002 J jnl
Associative Neural Network.
Neural Process. Lett.
Igor V. Tetko
2002 J jnl
Neural Network Studies, 4. Introduction to Associative Neural Networks.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko
2001 J jnl
Computer assisted neurophysiological analysis of cell assemblies activity.
Neurocomputing
Alessandro E. P. Villa, Igor V. Tetko, Javier Iglesias
2001 J jnl
Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, Alessandro E. P. Villa
2001 J jnl
Internet Software for the Calculation of the Lipophilicity and Aqueous Solubility of Chemical Compounds.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, Alessandro E. P. Villa
2001 J jnl
Pattern grouping algorithm and de-convolution filtering of non-stationary correlated Poisson processes.
Neurocomputing
Igor V. Tetko, Alessandro E. P. Villa
2001 J jnl
Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database Using Artificial Neural Networks and E-State Indices.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Vsevolod Yu. Tanchuk, Alessandro E. P. Villa
2000 J jnl
Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices.
J. Chem. Inf. Comput. Sci.
Jarmo J. Huuskonen, David J. Livingstone, Igor V. Tetko
1998 J jnl
Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Alessandro E. P. Villa, Tatyana I. Aksenova, Walter L. Zielinski, James Brower, Elizabeth R. Collantes, William J. Welsh
1998 — conf
Computer assisted neurophysiology by a distributed JAVA program.
HCC
Luc Jeandenans, Michel Gautero, François Grize, Igor V. Tetko, Alessandro E. P. Villa
1998 J jnl
Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture.
J. Chem. Inf. Comput. Sci.
Vasyl V. Kovalishyn, Igor V. Tetko, Alexander I. Luik, Vladyslav V. Kholodovych, Alessandro E. P. Villa, David J. Livingstone
1997 C conf
A Comparative Study of Pattern Detection Algorithm and Dynamical System Approach Using Simulated Spike Trains.
ICANN
Igor V. Tetko, Alessandro E. P. Villa
1997 J jnl
An Efficient Partition of Training Data Set Improves Speed and Accuracy of Cascade-correlation Algorithm.
Neural Process. Lett.
Igor V. Tetko, Alessandro E. P. Villa
1997 J jnl
An Enhancement of Generalization Ability in Cascade Correlation Algorithm by Avoidance of Overfitting/Overtraining Problem.
Neural Process. Lett.
Igor V. Tetko, Alessandro E. P. Villa
1997 J jnl
Data modelling with neural networks: Advantages and limitations.
J. Comput. Aided Mol. Des.
David J. Livingstone, David T. Manallack, Igor V. Tetko
1997 J jnl
Efficient Partition of Learning Data Sets for Neural Network Training.
Neural Networks
Igor V. Tetko, Alessandro E. P. Villa
1997 J jnl
Fast combinatorial methods to estimate the probability of complex temporal patterns of spikes.
Biol. Cybern.
Igor V. Tetko, Alessandro E. P. Villa
1996 J jnl
Neural Network Studies, 2. Variable Selection.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Alessandro E. P. Villa, David J. Livingstone
1995 J jnl
Neural network studies, 1. Comparison of overfitting and overtraining.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, David J. Livingstone, Alexander I. Luik
1994 B conf
Evaluation of potential HIV-1 reverse transcriptase inhibitors by artificial neural networks.
CBMS
Igor V. Tetko, Vsevolod Yu. Tanchuk, Alexander I. Luik
1994 B conf
Input Parameters' estimation via neural networks.
ESANN
Igor V. Tetko, Alexander I. Luik