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Addendum: molecular generation for desired transcriptome changes with adversarial autoencoders

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

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.

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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