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Works (8)

Discovery of Bis-imidazolecarboxamide Derivatives as Novel, Potent, and Selective TNIK Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis

Journal of Medicinal Chemistry
2024-11-14 | Journal article
Contributors: Vladimir Aladinskiy; Chris Kruse; Luoheng Qin; Eugene Babin; Yaya Fan; Georgiy Andreev; Heng Zhao; Yanyun Fu; Man Zhang; Yan Ivanenkov et al.
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Graph Transformer Foundation Model for modeling ADMET properties

2024-09-20 | Preprint
Contributors: Mikolaj Mizera; Arkadii Lin; Eugene Babin; Yury Kashkur; Tatiana Sitnik; Ien An Chan; Arsen Yedige; Maksim Vendin; Shamkhal Baybekov; Vladimir Aladinskiy
Source: Self-asserted source
Vladimir Aladinskiy

Potential Non-Covalent SARS-CoV-2 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches and Reviewed by Human Medicinal Chemist in Virtual Reality

2020-05-19 | Preprint
Contributors: Alex Zhavoronkov; Bogdan Zagribelnyy; Alexander Zhebrak; Vladimir Aladinskiy; Victor Terentiev; Quentin Vanhaelen; Dmitry S. Bezrukov; Daniil Polykovskiy; Rim Shayakhmetov; Andrey Filimonov et al.
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Potential COVID-2019 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches

2020-02-19 | Preprint
Contributors: Alex Zhavoronkov; Vladimir Aladinskiy; Alexander Zhebrak; Bogdan Zagribelnyy; Victor Terentiev; Dmitry S. Bezrukov; Daniil Polykovskiy; Rim Shayakhmetov; Andrey Filimonov; Philipp Orekhov et al.
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Potential 2019-nCoV 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches

2020-02-11 | Preprint
Contributors: Alex Zhavoronkov; Vladimir Aladinskiy; Alexander Zhebrak; Bogdan Zagribelnyy; Victor Terentiev; Dmitry S. Bezrukov; Daniil Polykovskiy; Rim Shayakhmetov; Andrey Filimonov; Philipp Orekhov et al.
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Are We Opening the Door to a New Era of Medicinal Chemistry or Being Collapsed to a Chemical Singularity?

Journal of Medicinal Chemistry
2019-11-27 | Journal article
Part of ISSN: 0022-2623
Part of ISSN: 1520-4804
Contributors: yan ivanenkov; Bogdan A. Zagribelnyy; Vladimir Aladinskiy
Source: Self-asserted source
Vladimir Aladinskiy

Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery

Molecular Pharmaceutics
2018-10-01 | Journal article
Contributors: Daniil Polykovskiy; Alexander Zhebrak; Dmitry Vetrov; Yan Ivanenkov; Vladimir Aladinskiy; Polina Mamoshina; Marine Bozdaganyan; Alexander Aliper; Alex Zhavoronkov; Artur Kadurin
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Reinforced Adversarial Neural Computer for De Novo Molecular Design

Journal of Chemical Information and Modeling
2018-06-25 | Journal article
Part of ISSN: 1549-9596
Part of ISSN: 1549-960X
Contributors: Evgeny Putin; Arip Asadulaev; Yan Ivanenkov; Vladimir Aladinskiy; Benjamin Sanchez-Lengeling; Alan Aspuru-Guzik; Alex Zhavoronkov
Source: Self-asserted source
Vladimir Aladinskiy