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Alexey Voronov

5 results in Authors: Alexey Voronov

Theoretical and Computational Chemistry

REINVENT4: Modern AI–Driven Generative Molecule Design

Hannes Loeffler, Jiazhen He, Alessandro Tibo, Jon Paul Janet, Alexey Voronov, Lewis Mervin, Ola Engkvist

Version 1 posted 06 November 2023

6,051

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5

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Theoretical and Computational Chemistry

QSARtuna: an automated QSAR modelling platform for molecular property prediction in drug design

Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, Ola Engkvist

Version 2 posted 27 March 2024

1,474

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Theoretical and Computational Chemistry

Human-in-the-loop assisted de novo molecular design

Iiris Sundin, Alexey Voronov, Haoping Xiao, Kostas Papadopoulos, Esben Jannik Bjerrum, Markus Heinonen, Atanas Patronov, Samuel Kaski, Ola Engkvist

Version 1 posted 04 July 2022

947

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Theoretical and Computational Chemistry

DockStream: A Docking Wrapper to Enhance De Novo Molecular Design

Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

Version 1 posted 04 August 2021

909

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Materials Science

Effect of extended defects on phonon confinement in polycrystalline Si and Ge films

Larisa V. Arapkina, Kirill V. Chizh, Oleg V. Uvarov, Valery V. Voronov, Vladimir P. Dubkov, Mikhail S. Storozhevykh, Maksim V. Poliakov, Lidiya S. Volkova, Polina A. Edelbekova, Alexey A. Klimenko, Alexander A. Dudin, Vladimir A. Yuryev

Version 1 posted 16 February 2024

160

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