A SAR and QSAR study on 3CLpro inhibitors of SARS-CoV-2 using machine learning methods
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The 3C-like Proteinase (3CLpro) of novel coronaviruses is intricately linked to viral replication, making it a crucial target for antiviral agents. In this study, we employed two fingerprint descriptors (ECFP_4 and MACCS) to comprehensively characterize 889 co... ...
