Alex Aliper

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

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

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

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

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

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