Deep learning enables rapid identification of potent DDR1 kinase inhibitors, AISC

For slides and more information on the paper, visit Discussion lead: Alex Zhebrak Motivation: We have developed a deep generative model, generative tensorial reinforcement learning (GENTRL), for de novo smallmolecule 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 compo