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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

by Polykovskiy, Daniil, Zhebrak, Alexander, Sanchez-Lengeling, Benjamin, Golovanov, Sergey, Tatanov, Oktai, Belyaev, Stanislav, Kurbanov, Rauf, Artamonov, Aleksey, Aladinskiy, Vladimir, Veselov, Mark, Kadurin, Artur, Johansson, Simon, Chen, Hongming, Nikolenko, Sergey, Aspuru-Guzik, Alán, Zhavoronkov, Alex
Published in Frontiers in pharmacology (18.12.2020)

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Journal Article

Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

by Shayakhmetov, Rim, Kuznetsov, Maksim, Zhebrak, Alexander, Kadurin, Artur, Nikolenko, Sergey, Aliper, Alexander, Polykovskiy, Daniil
Published in Frontiers in pharmacology (17.04.2020)

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Journal Article

Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

by Shayakhmetov, Rim, Kuznetsov, Maksim, Zhebrak, Alexander, Kadurin, Artur, Nikolenko, Sergey, Aliper, Alexander, Polykovskiy, Daniil
Published in Frontiers in pharmacology (21.08.2020)

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Journal Article

Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery

Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery

by Polykovskiy, Daniil, Zhebrak, Alexander, Vetrov, Dmitry, Ivanenkov, Yan, Aladinskiy, Vladimir, Mamoshina, Polina, Bozdaganyan, Marine, Aliper, Alexander, Zhavoronkov, Alex, Kadurin, Artur
Published in Molecular pharmaceutics (01.10.2018)

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Journal Article

Converging blockchain and next-generation artificial intelligence technologies to decentralize and accelerate biomedical research and healthcare

Converging blockchain and next-generation artificial intelligence technologies to decentralize and accelerate biomedical research and healthcare

by Mamoshina, Polina, Ojomoko, Lucy, Yanovich, Yury, Ostrovski, Alex, Botezatu, Alex, Prikhodko, Pavel, Izumchenko, Eugene, Aliper, Alexander, Romantsov, Konstantin, Zhebrak, Alexander, Ogu, Iraneus Obioma, Zhavoronkov, Alex
Published in Oncotarget (19.01.2018)

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Journal Article

3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks

3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks

by Kuzminykh, Denis, Polykovskiy, Daniil, Kadurin, Artur, Zhebrak, Alexander, Baskov, Ivan, Nikolenko, Sergey, Shayakhmetov, Rim, Zhavoronkov, Alex
Published in Molecular pharmaceutics (01.10.2018)

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Journal Article

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

Deep learning enables rapid identification of potent DDR1 kinase inhibitors

by Zhavoronkov, Alex, Ivanenkov, Yan A., Aliper, Alex, Veselov, Mark S., Aladinskiy, Vladimir A., Aladinskaya, Anastasiya V., Terentiev, Victor A., Polykovskiy, Daniil A., Kuznetsov, Maksim D., Asadulaev, Arip, Volkov, Yury, Zholus, Artem, Shayakhmetov, Rim R., Zhebrak, Alexander, Minaeva, Lidiya I., Zagribelnyy, Bogdan A., Lee, Lennart H., Soll, Richard, Madge, David, Xing, Li, Guo, Tao, Aspuru-Guzik, Alán
Published in Nature biotechnology (01.09.2019)

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Journal Article

Erratum: Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

Erratum: Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

by Shayakhmetov, Rim, Kuznetsov, Maksim, Zhebrak, Alexander, Kadurin, Artur, Nikolenko, Sergey, Aliper, Alexander, Polykovskiy, Daniil
Published in Frontiers in pharmacology (01.01.2020)

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Journal Article

A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models

A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models

by Kuznetsov, Maksim, Polykovskiy, Daniil, Vetrov, Dmitry, Zhebrak, Alexander
Year of Publication 29.10.2019

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Journal Article

ENTANGLED CONDITIONAL ADVERSARIAL AUTOENCODER FOR DRUG DISCOVERY

ENTANGLED CONDITIONAL ADVERSARIAL AUTOENCODER FOR DRUG DISCOVERY

by Polykovskiy, Daniil, Zhebrak, Alexander, Aliper, Aleksandr M, Zavoronkovs, Aleksandrs, Kadurin, Artur
Year of Publication 19.10.2023

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Patent

Entangled conditional adversarial autoencoder for drug discovery

Entangled conditional adversarial autoencoder for drug discovery

by Polykovskiy, Daniil, Zhebrak, Alexander, Aliper, Aleksandr M, Zavoronkovs, Aleksandrs, Kadurin, Artur
Year of Publication 20.06.2023

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Patent

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

by Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Shayakhmetov, Rim, Zavoronkovs, Aleksandrs, Kadurin, Artur
Year of Publication 08.12.2022

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Patent

Mutual information adversarial autoencoder

Mutual information adversarial autoencoder

by Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Shayakhmetov, Rim, Zavoronkovs, Aleksandrs, Kadurin, Artur
Year of Publication 02.08.2022

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Patent

SUBSET CONDITIONING USING VARIATIONAL AUTOENCODER WITH A LEARNABLE TENSOR TRAIN INDUCED PRIOR

SUBSET CONDITIONING USING VARIATIONAL AUTOENCODER WITH A LEARNABLE TENSOR TRAIN INDUCED PRIOR

by Ivanenkov, Yan, Aladinskiy, Vladimir, Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Zavoronkovs, Aleksandrs, Veselov, Mark, Volkov, Yuriy, Kuznetsov, Maksim, Asadulaev, Arip, Putin, Evgeny
Year of Publication 09.05.2024

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Patent

Subset conditioning using variational autoencoder with a learnable tensor train induced prior

Subset conditioning using variational autoencoder with a learnable tensor train induced prior

by Ivanenkov, Yan, Aladinskiy, Vladimir, Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Zavoronkovs, Aleksandrs, Veselov, Mark, Volkov, Yuriy, Kuznetsov, Maksim, Asadulaev, Arip, Putin, Evgeny
Year of Publication 06.02.2024

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Patent

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

by ALIPER, Aleksandr, ZAVORONKOVS, Aleksandrs, KADURIN, Artur, SHAYAKHMETOV, Rim, POLYKOVSKIY, Daniil, ZHEBRAK, Alexander
Year of Publication 30.03.2022

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Patent

SUBSET CONDITIONING USING VARIATIONAL AUTOENCODER WITH A LEARNABLE TENSOR TRAIN INDUCED PRIOR

SUBSET CONDITIONING USING VARIATIONAL AUTOENCODER WITH A LEARNABLE TENSOR TRAIN INDUCED PRIOR

by Ivanenkov, Yan, Aladinskiy, Vladimir, Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Zavoronkovs, Aleksandrs, Veselov, Mark, Volkov, Yuriy, Kuznetsov, Maksim, Asadulaev, Arip, Putin, Evgeny
Year of Publication 06.07.2023

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Patent

A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models

A Prior of a Googol Gaussians: a Tensor Ring Induced Prior for Generative Models

by Kuznetsov, Maksim, Polykovskiy, Daniil, Vetrov, Dmitry, Zhebrak, Alexander
Published in arXiv.org (29.10.2019)

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Paper

Subset conditioning using variational autoencoder with a learnable tensor train induced prior

Subset conditioning using variational autoencoder with a learnable tensor train induced prior

by Ivanenkov, Yan, Aladinskiy, Vladimir, Polykovskiy, Daniil, Aliper, Aleksandr, Zhebrak, Alexander, Zavoronkovs, Aleksandrs, Veselov, Mark, Volkov, Yuriy, Kuznetsov, Maksim, Asadulaev, Arip, Putin, Evgeny
Year of Publication 28.02.2023

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Patent

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

MUTUAL INFORMATION ADVERSARIAL AUTOENCODER

by ALIPER, Aleksandr, ZAVORONKOVS, Aleksandrs, KADURIN, Artur, SHAYAKHMETOV, Rim, POLYKOVSKIY, Daniil, ZHEBRAK, Alexander
Year of Publication 28.04.2021

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Patent