Artur Kadurin

druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico

Artur Kadurin, Sergey Nikolenko, Kuzma Khrabrov et al. · Molecular Pharmaceutics · 2017 · 593 citations

Molecular Fingerprints, Engineering, Machine Learning +23

The cornucopia of meaningful leads: Applying deep adversarial autoencoders for new molecule development in oncology

Artur Kadurin, Alexander Aliper, Andrey Kazennov et al. · Oncotarget · 2016 · 361 citations · Full text

Engineering, Machine Learning, Autoencoders +20

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

3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks

Denis Kuzminykh, Daniil Polykovskiy, Artur Kadurin et al. · Molecular Pharmaceutics · 2018 · 115 citations

Geometric Learning, Convolutional Neural Network, Engineering +21

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Daniil Polykovskiy, Alexander Zhebrak, Benjamín Sánchez-Lengeling et al. · Frontiers in Pharmacology · 2020 · 84 citations · Full text