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Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
A. Zhavoronkov,Y. Ivanenkov,19 Auteurs,Alán Aspuru-Guzik
2019 · DOI: 10.1038/s41587-019-0224-x
Nature Biotechnology · 1,048 citations
TLDR
A machine learning model allows the identification of new small-molecule kinase inhibitors in days and is used to discover potent inhibitors of discoidin domain receptor 1 (DDR1), a kinase target implicated in fibrosis and other diseases, in 21 days.