Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model

Medicine & Life Sciences

• SARS coronavirus 3C-like protease 100%
• Protease Inhibitors 50%
• Coronaviridae 43%
• Antiviral Agents 42%
• Peptide Hydrolases 41%
• SARS Virus 36%
• Data Science 34%
• Machine Learning 27%
• Life Cycle Stages 26%
• Viruses 16%

Engineering & Materials Science

• Peptide Hydrolases 74%
• Open Data 30%
• Scaffolds 28%
• Viruses 28%
• Assays 28%
• Conservation 23%
• Life cycle 21%
• Machine learning 17%

Chemistry

• Protease Inhibitor 57%