New AI tool developed at the University of Oregon could speed discovery of life-changing new drugs
Researchers at the University of Oregon have developed an AI tool to simulate the behavior of new molecules, potentially speeding up the discovery of new drugs. The tool uses a combination of artificial intelligence and physics data to predict how molecules will move and interact.
A team of researchers at the University of Oregon has developed an artificial intelligence-based tool to simulate the behavior of new molecules. The algorithm efficiently predicts how molecules will move and behave based on their chemical structure. Led by doctoral student Revanth Elangovan and postdoctoral researcher Sompriya Chatterjee, the team published their findings in the Proceedings of the National Academy of Sciences. The tool blends AI with physics data, using measurements of known molecules to inform the model. The code is freely available for others to use, and the researchers plan to make the data easier to interpret in the next step. The approach could be useful across biology and chemistry, helping researchers understand the properties of new materials.
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