| 3CL-Pro | 3-chymostrypsin like Protease |
| ACO | ant colony optimization |
| AM1-BCC | Austin Model 1 (AM1) with bond charge correction (BCC) |
| APBS | Adaptive Poisson-Boltzmann Solver |
| CHARMM | Chemistry at Harvard Macromolecular Mechanics |
| CoV | Coronavirus, subfamily Coronavirinae and family Coronaviridae |
| Covid | Coronavirus Disease |
| CS | Chemical Score |
| CSopt | Optimized Chemical Score |
| CVFF | consistent-valence force field |
| EF | Enrichment Factors |
| EFO | Enrichment Factor Optimization |
| IC50 | half maximal inhibitory concentration |
| MD | molecular dynamics |
| MERS | Middle-Est Respiratory Syndrome |
| MLP | Molecular Lipophilic Potential |
| MM-PBSA | molecular mechanics-Poisson–Boltzmann surface area |
| OPLS | Optimized Potentials for Liquid Simulations |
| PH | Pharmacophoric |
| PLIF | protein ligand interaction fingerprints |
| PLP | Piecewise Linear Potential |
| PM7 | Parametric method 7 |
| PS | Pacman Score |
| SARS | Severe Acute Respiratory Syndrome |
| SP | standard precision |
| VS | virtual screening |