Yan A. Ivanenkov

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

Alex Zhavoronkov, Yan A. Ivanenkov, Alex Aliper et al. · Nature Biotechnology · 2019 · 1.4K citations

Drug Target, Engineering, De Novo Drug Design +10

Reinforced Adversarial Neural Computer for <i>de Novo</i> Molecular Design

Evgeny Putin, Arip Asadulaev, Yan A. Ivanenkov et al. · Journal of Chemical Information and Modeling · 2018 · 374 citations · Full text

Drug Target, Engineering, Machine Learning +18

Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery

Daniil Polykovskiy, Alexander Zhebrak, Dmitry Vetrov et al. · Molecular Pharmaceutics · 2018 · 278 citations

Engineering, Machine Learning, Autoencoders +16

Adversarial Threshold Neural Computer for Molecular <i>de Novo</i> Design

Evgeny Putin, Arip Asadulaev, Quentin Vanhaelen et al. · Molecular Pharmaceutics · 2018 · 216 citations

Chemistry42: An AI-Driven Platform for Molecular Design and Optimization

Yan A. Ivanenkov, Daniil Polykovskiy, Dmitry S. Bezrukov et al. · Journal of Chemical Information and Modeling · 2023 · 174 citations · Full text