| 2025 | ICANN | MolEncoder: Improved Masked Language Modeling for Molecules. | Fabian Krger, Nicklas sterbacka, Mikhail Kabeshov, Ola Engkvist, Igor V. Tetko |
| 2025 | ICANN | Consensus Prediction of Chemical Reactions with OCHEM-R Platform. | Igor V. Tetko, Guillaume Godin, Kevin Maik Jablonka, Adrian Mirza, Luc Patiny |
| 2024 | ICANN | Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse. | Peter B. R. Hartog, Emma Svensson, Lewis H. Mervin, Samuel Genheden, Ola Engkvist, Igor V. Tetko |
| 2019 | ICANN | Analysis and Modelling of False Positives in GPCR Assays. | Dipan Ghosh, Igor V. Tetko, Bert Klebl, Peter Nussbaumer, Uwe Koch |
| 2019 | ICANN | A Transformer Model for Retrosynthesis. | Pavel Karpov, Guillaume Godin, Igor V. Tetko |
| 2019 | ICANN | Augmentation Is What You Need! | Igor V. Tetko, Pavel Karpov, Eric Bruno, Talia B. Kimber, Guillaume Godin |
| 1997 | ICANN | A Comparative Study of Pattern Detection Algorithm and Dynamical System Approach Using Simulated Spike Trains. | Igor V. Tetko, Alessandro E. P. Villa |
| 1994 | CBMS | Evaluation of potential HIV-1 reverse transcriptase inhibitors by artificial neural networks. | Igor V. Tetko, Vsevolod Yu. Tanchuk, Alexander I. Luik |
| 1994 | ESANN | Input Parameters' estimation via neural networks. | Igor V. Tetko, Alexander I. Luik |