Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
About this item
Full title
Author / Creator
Zhavoronkov, Alex , Ivanenkov, Yan A. , Aliper, Alex , Veselov, Mark S. , Aladinskiy, Vladimir A. , Aladinskaya, Anastasiya V. , Terentiev, Victor A. , Polykovskiy, Daniil A. , Kuznetsov, Maksim D. , Asadulaev, Arip , Volkov, Yury , Zholus, Artem , Shayakhmetov, Rim R. , Zhebrak, Alexander , Minaeva, Lidiya I. , Zagribelnyy, Bogdan A. , Lee, Lennart H. , Soll, Richard , Madge, David , Xing, Li , Guo, Tao and Aspuru-Guzik, Alán
Publisher
New York: Nature Publishing Group US
Journal title
Language
English
Formats
Publication information
Publisher
New York: Nature Publishing Group US
Subjects
More information
Scope and Contents
Contents
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 of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, i...
Alternative Titles
Full title
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Authors, Artists and Contributors
Author / Creator
Ivanenkov, Yan A.
Aliper, Alex
Veselov, Mark S.
Aladinskiy, Vladimir A.
Aladinskaya, Anastasiya V.
Terentiev, Victor A.
Polykovskiy, Daniil A.
Kuznetsov, Maksim D.
Asadulaev, Arip
Volkov, Yury
Zholus, Artem
Shayakhmetov, Rim R.
Zhebrak, Alexander
Minaeva, Lidiya I.
Zagribelnyy, Bogdan A.
Lee, Lennart H.
Soll, Richard
Madge, David
Xing, Li
Guo, Tao
Aspuru-Guzik, Alán
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_proquest_journals_2284612926
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2284612926
Other Identifiers
ISSN
1087-0156
E-ISSN
1546-1696
DOI
10.1038/s41587-019-0224-x
