Automatic design of novel potential 3CL${}^{\text{pro}}$ and PL${}^{\text{pro}}$ inhibitors

Timothy Atkinson, Saeed Saremi, Faustino Gomez +1

With the goal of designing novel inhibitors for SARS-CoV-1 and SARS-CoV-2, we propose the general molecule optimization framework, Molecular Neural Assay Search (MONAS), consisting…