Insilico Medicine uses AI to design novel molecules in 21 days

September 2, 2019

Juvenescence is impressed by Insilico Medicine’s recent article in Nature Biotech, highlighting their ability to use deep learning for de novo small-molecule design.

They have developed a deep generative model, generative tensorial reinforcement learning (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. They were able to design, synthesise and validate the new drug in 46 days.

Link to the BusinessWire press release found here.

Link to the Nature Biotech article found here.

Link to the Endpoints news coverage found here.

Link to the Forbes news coverage found here.

Link to the FierceBiotech news coverage found here.