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)

SiteRadar: Utilizing Graph Machine Learning for Precise Mapping of Protein-Ligand-Binding Sites. - Sergei A. Evteev; Alexey V. Ereshchenko; Yan A. Ivanenkov (J. Chem. Inf. Model., 2023)

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)