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Yan A. Ivanenkov
Researcher at Russian Academy of Sciences
Publications - 97
Citations - 2899
Yan A. Ivanenkov is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Asialoglycoprotein receptor & Medicine. The author has an hindex of 24, co-authored 89 publications receiving 2075 citations. Previous affiliations of Yan A. Ivanenkov include Moscow State University & Unitary enterprise.
Papers
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Journal ArticleDOI
Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Alex Zhavoronkov,Yan A. Ivanenkov,Alexander Aliper,Mark S. Veselov,Vladimir A. Aladinskiy,Anastasiya V Aladinskaya,Victor A Terentiev,Daniil Polykovskiy,Maksim Kuznetsov,Arip Asadulaev,Yury Volkov,Artem Zholus,Rim Shayakhmetov,Alexander Zhebrak,Lidiya I Minaeva,Bogdan A Zagribelnyy,Lennart H Lee,Richard Soll,David Madge,Li Xing,Tao Guo,Alán Aspuru-Guzik +21 more
TL;DR: A machine learning model allows the identification of new small-molecule kinase inhibitors in days and is used to discover potent inhibitors of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, in 21 days.
Journal ArticleDOI
Reinforced Adversarial Neural Computer for de Novo Molecular Design
Evgeny Putin,Arip Asadulaev,Yan A. Ivanenkov,Yan A. Ivanenkov,Vladimir A. Aladinskiy,Benjamin Sanchez-Lengeling,Alán Aspuru-Guzik,Alán Aspuru-Guzik,Alex Zhavoronkov +8 more
TL;DR: An original deep neural network (DNN) architecture named RANC (Reinforced Adversarial Neural Computer) for the de novo design of novel small-molecule organic structures based on the generative adversarial network (GAN) paradigm and reinforcement learning (RL).
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Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
Daniil Polykovskiy,Alexander Zhebrak,Dmitry Vetrov,Yan A. Ivanenkov,Yan A. Ivanenkov,Vladimir A. Aladinskiy,Polina Mamoshina,Marine E. Bozdaganyan,Alexander Aliper,Alex Zhavoronkov,Artur Kadurin +10 more
TL;DR: A new generative architecture is proposed, entangled conditional adversarial autoencoder, that generates molecular structures based on various properties, such as activity against a specific protein, solubility, or ease of synthesis, that is applied to generate a novel inhibitor of Janus kinase 3.
Journal ArticleDOI
Adversarial Threshold Neural Computer for Molecular de Novo Design
Evgeny Putin,Arip Asadulaev,Quentin Vanhaelen,Yan A. Ivanenkov,Yan A. Ivanenkov,Anastasia V. Aladinskaya,Alexander Aliper,Alex Zhavoronkov +7 more
TL;DR: Analysis of key molecular descriptors and chemical statistical features demonstrated that the molecules generated by ATNC elicited better druglikeness properties, indicating that ATNC is an effective method for producing hit compounds.
Journal ArticleDOI
Small Molecule Inhibitors of NF-κB and JAK/STAT Signal Transduction Pathways as Promising Anti-Inflammatory Therapeutics
TL;DR: Recent progress in the identification and development of novel, clinically approved or evaluated small molecule regulators of these signaling cascades as promising anti-inflammatory therapeutics is summarized.