AI models for drug development fail in physics

Protein structure

3D representation of an interferon beta protein, based on the entry in a protein database. (Image: molekuul.be/Adobe Stock)

State-of-the-art AI programs can support the development of drugs by predicting the interaction of proteins with small molecules. However, researchers at the University of Basel show that these programs only memorize patterns instead of understanding physical relationships. They often fail with new proteins that would be particularly interesting for innovative drugs. Read more

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