Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models. - Daniil Polykovskiy; Alexander Zhebrak; Benjamín Sánchez-Lengeling; Sergey Golovanov; Oktai Tatanov; Stanislav Belyaev; Rauf Kurbanov; Aleksey Artamonov; Vladimir Aladinskiy; Mark Veselov; Artur Kadurin; Sergey I. Nikolenko; et al. (CoRR, 2018)

Reinforced Adversarial Neural Computer for de Novo Molecular Design. - Evgeny Putin; Arip Asadulaev; Yan Ivanenkov; Vladimir Aladinskiy; Benjamín Sánchez-Lengeling; Alán Aspuru-Guzik; Alex Zhavoronkov (J. Chem. Inf. Model., 2018)

Chemistry42: An AI-based platform for de novo molecular design. - Yan A. Ivanenkov; Alexander Zhebrak; Dmitry Bezrukov; Bogdan Zagribelnyy; Vladimir Aladinskiy; Daniil Polykovskiy; Evgeny Putin; Petrina Kamya; Alexander Aliper; Alex Zhavoronkov (CoRR, 2021)

AlphaFold Accelerates Artificial Intelligence Powered Drug Discovery: Efficient Discovery of a Novel Cyclin-dependent Kinase 20 (CDK20) Small Molecule Inhibitor. - Feng Ren; Xiao Ding; Min Zheng; Mikhail Korzinkin; Xin Cai; Wei Zhu; Alexey Mantsyzov; Alex Aliper; Vladimir Aladinskiy; Zhongying Cao; Shanshan Kong; Xi Long; et al. (CoRR, 2022)

Chemistry42: An AI-Driven Platform for Molecular Design and Optimization. - Yan A. Ivanenkov; Daniil Polykovskiy; Dmitry Bezrukov; Bogdan Zagribelnyy; Vladimir Aladinskiy; Petrina Kamya; Alex Aliper; Feng Ren; Alex Zhavoronkov (J. Chem. Inf. Model., 2023)