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COSMIC: Molecular Conformation Space Modeling in Internal Coordinates with an Adversarial Framework.
J Chem Inf Model. 2024 May 13;64(9):3610-3620. doi: 10.1021/acs.jcim.3c00989. Epub 2024 Apr 26.
J Chem Inf Model. 2024.
PMID: 38668753
Free PMC article.
Erratum: Addendum: Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders.
Shayakhmetov R, Kuznetsov M, Zhebrak A, Kadurin A, Nikolenko S, Aliper A, Polykovskiy D.
Shayakhmetov R, et al.
Front Pharmacol. 2020 Aug 21;11:1236. doi: 10.3389/fphar.2020.01236. eCollection 2020.
Front Pharmacol. 2020.
PMID: 32973498
Free PMC article.
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Molecular Generation for Desired Transcriptome Changes With Adversarial Autoencoders.
Shayakhmetov R, Kuznetsov M, Zhebrak A, Kadurin A, Nikolenko S, Aliper A, Polykovskiy D.
Shayakhmetov R, et al.
Front Pharmacol. 2020 Apr 17;11:269. doi: 10.3389/fphar.2020.00269. eCollection 2020.
Front Pharmacol. 2020.
PMID: 32362822
Free PMC article.
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Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Zhavoronkov A, Ivanenkov YA, Aliper A, Veselov MS, Aladinskiy VA, Aladinskaya AV, Terentiev VA, Polykovskiy DA, Kuznetsov MD, Asadulaev A, Volkov Y, Zholus A, Shayakhmetov RR, Zhebrak A, Minaeva LI, Zagribelnyy BA, Lee LH, Soll R, Madge D, Xing L, Guo T, Aspuru-Guzik A.
Zhavoronkov A, et al. Among authors: shayakhmetov rr.
Nat Biotechnol. 2019 Sep;37(9):1038-1040. doi: 10.1038/s41587-019-0224-x. Epub 2019 Sep 2.
Nat Biotechnol. 2019.
PMID: 31477924
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3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks.
Kuzminykh D, Polykovskiy D, Kadurin A, Zhebrak A, Baskov I, Nikolenko S, Shayakhmetov R, Zhavoronkov A.
Kuzminykh D, et al. Among authors: shayakhmetov r.
Mol Pharm. 2018 Oct 1;15(10):4378-4385. doi: 10.1021/acs.molpharmaceut.7b01134. Epub 2018 Mar 5.
Mol Pharm. 2018.
PMID: 29473756
Free article.
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