An interesting paper on small molecule discovery using a deep generative model "generative tensorial reinforcement learning (GENTRL)". GENTRL optimizes synthetic feasibility, novelty, and biological activity Most interestingly, they designed, synthesized, and experimentally validated molecules targeting DDR1 kinase in less than 2 month and 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. Paper link is below:
Deep learning enables rapid identification of potent DDR1 kinase inhibitors
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