A Transformer Model for Retrosynthesis. - Pavel Karpov; Guillaume Godin; Igor V. Tetko (ICANN (Workshop), 2019)

Augmentation Is What You Need! - Igor V. Tetko; Pavel Karpov; Eric Bruno; Talia B. Kimber; Guillaume Godin (ICANN (Workshop), 2019)

Transformer-CNN: Fast and Reliable tool for QSAR. - Pavel Karpov; Guillaume Godin; Igor V. Tetko (CoRR, 2019)

Augmented Transformer Achieves 97% and 85% for Top5 Prediction of Direct and Classical Retro-Synthesis. - Igor V. Tetko; Pavel Karpov; Ruud van Deursen; Guillaume Godin (CoRR, 2020)

Focused Library Generator: case of Mdmx inhibitors. - Zhonghua Xia; Pavel Karpov; Grzegorz M. Popowicz; Igor V. Tetko (J. Comput. Aided Mol. Des., 2020)

Transformer-CNN: Swiss knife for QSAR modeling and interpretation. - Pavel Karpov; Guillaume Godin; Igor V. Tetko (J. Cheminformatics, 2020)

What Features of Ligands Are Relevant to the Opening of Cryptic Pockets in Drug Targets? - Zhonghua Xia; Pavel Karpov; Grzegorz M. Popowicz; Michael Sattler; Igor V. Tetko (Informatics, 2022)

Universal Laboratory Model: prognosis of abnormal clinical outcomes based on routine tests. - Pavel Karpov; Ilya Petrenkov; Ruslan Raiman (CoRR, 2025)