Researchers race to develop antiviral weapons to fight the pandemic coronavirus
Science’s COVID-19 reporting is supported by the Heising-Simons Foundation. In March 2020, as the scope of the COVID-19 pandemic was coming into view, Jen Nwankwo and colleagues turned a pair of artificial intelligence (AI) tools against SARS-CoV-2. One newly developed AI program, called SUEDE, digitally screens all known druglike compounds for likely activity against biomolecules thought to be involved in disease. The other, BAGEL, predicts how to build inhibitors to known targets. The two programs searched for compounds able to block human enzymes that play essential roles in enabling the...