Daniil Polykovskiy

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

AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor

Feng Ren, Xiao Ding, Min Zheng et al. · Chemical Science · 2023 · 292 citations · Full text

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

A small-molecule TNIK inhibitor targets fibrosis in preclinical and clinical models

Feng Ren, Alex Aliper, Jian Chen et al. · Nature Biotechnology · 2024 · 219 citations · Full text

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