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Journal of Chemical Information and Modeling
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February 2, 2023
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Yan A Ivanenkov, Daniil Polykovskiy, Dmitry Bezrukov, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry
Yan Ivanenkov, Bogdan Zagribelnyy, Alex Malyshev, et al.
Scientific Data
|
March 3, 2026
Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target
Bogdan Zagribelnyy, Vladimir Aladinskiy, Nikita Bondarev, et al.
Plos Pathogens
|
July 13, 2022
Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission
Jeremy C Jones, Bogdan Zagribelnyy, Philippe Noriel Q Pascua, et al.
Frontiers in Chemistry
|
April 18, 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an <i>in vitro</i> study
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, et al.
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Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
February 2, 2023
Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Yan A Ivanenkov, Daniil Polykovskiy, Dmitry Bezrukov, et al.
ACS Medicinal Chemistry Letters
|
July 19, 2023
The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry
Yan Ivanenkov, Bogdan Zagribelnyy, Alex Malyshev, et al.
Scientific Data
|
March 3, 2026
Molecular LEGION: incalculably large coverage of chemical space around the NLRP3 target
Bogdan Zagribelnyy, Vladimir Aladinskiy, Nikita Bondarev, et al.
Plos Pathogens
|
July 13, 2022
Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission
Jeremy C Jones, Bogdan Zagribelnyy, Philippe Noriel Q Pascua, et al.
Frontiers in Chemistry
|
April 18, 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an <i>in vitro</i> study
Sergei Evteev, Yan Ivanenkov, Ivan Semenov, et al.
Page
of 1