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CORRECTION article

Front. Pharmacol., 21 August 2020
Sec. Translational Pharmacology
Volume 11 - 2020 | https://doi.org/10.3389/fphar.2020.01236

Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

This article is a correction to:

  1. Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

    1. Read original article
Rim Shayakhmetov&#x;Rim Shayakhmetov1†Maksim Kuznetsov&#x;Maksim Kuznetsov1†Alexander ZhebrakAlexander Zhebrak1Artur KadurinArtur Kadurin1Sergey Nikolenko,Sergey Nikolenko1,2Alexander AliperAlexander Aliper1Daniil Polykovskiy*Daniil Polykovskiy1*
  • 1Insilico Medicine, Hong Kong, Hong Kong
  • 2Neuromation OU, Tallinn, Estonia

An Addendum on
Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders

By Shayakhmetov R, Kuznetsov M, Zhebrak A, Kadurin A, Nikolenko S, Aliper A and Polykovskiy D (2020). Front. Pharmacol. 11:269. doi: 10.3389/fphar.2020.00269

In the original article, we missed the parallel work by Méndez-Lucio et al. (2020). This work also tackles a similar problem of generating molecular structures from transcriptomic data. The authors proposed a conditional model based on the generative adversarial networks Goodfellow et al. (2014). Unlike their approach, our model is joint, allowing us to generate molecular structures for a given gene expression profile and vice versa.

References

Goodfellow, I., Pouget-Abadie, J., Mirza, M., Xu, B., Warde-Farley, D., Ozair, S., et al. (2014). “Generative adversarial nets,” in Advances in Neural Information Processing Systems. (Curran Associates, Inc), vol. 27, 2672–2680.

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Méndez-Lucio, O., Baillif, B., Clevert, D.-A., Rouquié, D., Wichard, J. (2020). De novo generation of hit-like molecules from gene expression signatures using artificial intelligence. Nat. Commun. 11, 1–10. doi: 10.1038/s41467-019-13807-w

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Keywords: deep learning, generative models, adversarial autoencoders, conditional generation, representation learning, drug discovery, gene expression

Citation: Shayakhmetov R, Kuznetsov M, Zhebrak A, Kadurin A, Nikolenko S, Aliper A and Polykovskiy D (2020) Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders. Front. Pharmacol. 11:1236. doi: 10.3389/fphar.2020.01236

Received: 26 June 2020; Accepted: 28 July 2020;
Published: 21 August 2020.

Edited and reviewed by: Alastair George Stewart, The University of Melbourne, Australia

Copyright © 2020 Shayakhmetov, Kuznetsov, Zhebrak, Kadurin, Nikolenko, Aliper and Polykovskiy. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

*Correspondence: Daniil Polykovskiy, daniil@insilico.com

†These authors have contributed equally to this work

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