Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Arip Asadulaev"'
Publikováno v:
IEEE Access, Vol 8, Pp 211951-211960 (2020)
The outcome of Jacobian singular values regularization was studied for supervised learning problems. In supervised learning settings for linear and nonlinear networks, Jacobian regularization allows for faster learning. It also was shown that Jacobia
Externí odkaz:
https://doaj.org/article/6d8ccc5c5ba14f948b2d50bf8e626e75
Publikováno v:
2020 3rd International Conference on Algorithms, Computing and Artificial Intelligence.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e74d045dd3dad65db3b9db90169e9a2a
https://doi.org/10.1145/3446132.3446417
https://doi.org/10.1145/3446132.3446417
Autor:
Alex Zhavoronkov, Alexander Aliper, Yan A. Ivanenkov, Arip Asadulaev, Anastasia V. Aladinskaya, Quentin Vanhaelen, Evgeny Putin
Publikováno v:
Molecular Pharmaceutics. 15:4386-4397
In this article, we propose the deep neural network Adversarial Threshold Neural Computer (ATNC). The ATNC model is intended for the de novo design of novel small-molecule organic structures. The model is based on generative adversarial network archi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03233f2232b5383bdc6789cec6b18844
https://doi.org/10.1021/acs.molpharmaceut.7b01137
https://doi.org/10.1021/acs.molpharmaceut.7b01137
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
Autor:
Benjamin Sanchez-Lengeling, Yan A. Ivanenkov, Evgeny Putin, Vladimir A. Aladinskiy, Arip Asadulaev, Alex Zhavoronkov, Alán Aspuru-Guzik
Publikováno v:
Journal of chemical information and modeling. 58(6)
In silico modeling is a crucial milestone in modern drug design and development. Although computer-aided approaches in this field are well-studied, the application of deep learning methods in this research area is at the beginning. In this work, we p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa73580ea616c2da6ac78a9903a36566
https://pubmed.ncbi.nlm.nih.gov/29762023
https://pubmed.ncbi.nlm.nih.gov/29762023