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 作者,Alán Aspuru-Guzik
2019 · DOI: 10.1038/s41587-019-0224-x
Nature Biotechnology · 引用 1,048 次
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.