Zobrazeno 1 - 1
of 1
pro vyhledávání: '"Lennart H Lee"'
Autor:
Yan A. Ivanenkov, Alex Zhavoronkov, Mark S. Veselov, Rim Shayakhmetov, Anastasiya V Aladinskaya, Daniil Polykovskiy, Victor A Terentiev, Vladimir A. Aladinskiy, Bogdan A Zagribelnyy, Tao Guo, Artem Zholus, Yury Volkov, Alexander Zhebrak, Lennart H Lee, Li Xing, Lidiya I Minaeva, Richard Soll, Alán Aspuru-Guzik, Alexander Aliper, David Madge, Maksim Kuznetsov, Arip Asadulaev
Publikováno v:
Nature Biotechnology. 37:1038-1040
We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo small-molecule design. GENTRL optimizes synthetic feasibility, novelty, and biological activity. We used GENTRL to discover potent inhibitors
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57935a11c69db73ee57db030f1e4ba3b
https://doi.org/10.1038/s41587-019-0224-x
https://doi.org/10.1038/s41587-019-0224-x
