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May 2, 2025
Artificial intelligence algorithms have now been combined with traditional laboratory methods to uncover promising drug leads against human enterovirus 71 (EV71), the pathogen behind most cases of hand, foot, and mouth disease. Using an initial panel of 36 small molecules, the investigators trained a machine learning model to spot certain shapes and chemical features that help stop viruses, scoring each compound’s likelihood of blocking EV71.
The authors put their AI-chosen shortlist to the test: Out of eight compounds, five successfully slowed the virus in cell experiments about 10 times more hits than traditional screening methods usually deliver.The approach is especially powerful when time, budget or other constraints limit the amount of data you can generate up front.
Source: https://penntoday.upenn.edu/news/new-ai-technique-can-uncover-antiviral-compounds-using-limited-data