Past Recording
ShareSave
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Wednesday Oct 23 2019 16:00 GMT
Please to join the live chat.
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
Why This Is Interesting

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, in 21 days. Four compounds were active in biochemical assays, and two were validated in cell-based assays. One lead candidate was tested and demonstrated favorable pharmacokinetics in mice.

Time of Recording: Wednesday Oct 23 2019 16:00 GMT