Novel Molecules Designed by Artificial Intelligence May Accelerate Drug Discovery

Deep Learning enables rapid identification of potent DDR1 Kinase Inhibitors. Insilico Medicine, a global leader in artificial intelligence for drug discovery, today announced the publication of a paper titled, "Deep learning enables rapid identification of potent DDR1 kinase inhibitors," in Nature Biotechnology. The paper describes a timed challenge, where the new artificial intelligence system called Generative Tensorial Reinforcement Learning (GENTRL) designed six novel inhibitors of 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.