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Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.
Polykovskiy D, Zhebrak A, Sanchez-Lengeling B, Golovanov S, Tatanov O, Belyaev S, Kurbanov R, Artamonov A, Aladinskiy V, Veselov M, Kadurin A, Johansson S, Chen H, Nikolenko S, Aspuru-Guzik A, Zhavoronkov A. Polykovskiy D, et al. Among authors: kadurin a. Front Pharmacol. 2020 Dec 18;11:565644. doi: 10.3389/fphar.2020.565644. eCollection 2020. Front Pharmacol. 2020. PMID: 33390943 Free PMC article.
Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery.
Polykovskiy D, Zhebrak A, Vetrov D, Ivanenkov Y, Aladinskiy V, Mamoshina P, Bozdaganyan M, Aliper A, Zhavoronkov A, Kadurin A. Polykovskiy D, et al. Among authors: kadurin a. Mol Pharm. 2018 Oct 1;15(10):4398-4405. doi: 10.1021/acs.molpharmaceut.8b00839. Epub 2018 Sep 19. Mol Pharm. 2018. PMID: 30180591 Free article.
Doping position estimation for FeRh-based alloys.
Rumiantsev E, Khrabrov K, Tsypin A, Peresypkin ND, Gimaev RR, Zverev V, Eremin R, Kadurin A. Rumiantsev E, et al. Among authors: kadurin a. Sci Rep. 2024 Sep 4;14(1):20612. doi: 10.1038/s41598-024-71058-2. Sci Rep. 2024. PMID: 39232054 Free PMC article.
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