| SMILES | Simplified Molecular-Input Line-Entry System |
| CANDOCK | Chemical Atomic Network based Docking |
| CHARMM | Chemistry at Harvard Macromolecular Mechanics |
| ROC | Receiver operating characteristics curve |
| PC | Predictiveness curve |
| TPF | True positive fraction |
| FPF | False positive fraction |
| PDB | Protein Data Bank |
| ROC AUC | Area under the receiver operating characteristics curve |
| EF | Enrichment factor |
| BEDROC | Boltzmann-enhanced discrimination of ROC |
| RIE | Robust initial enhancement |
| TG | Total gain |
| Eis | Enhanced intracellular survival |
| HIV | Human immunodeficiency virus |
| FIV | Feline immunodeficiency virus |
| RAS/MAPK | Rat sarcoma/mitogen-activated protein kinase |
| GTP | Guanosine triphosphate |
| GlmS | Glucosamine/fructose-6-phosphate aminotransferase |
| PKM | Pyruvate kinase M |
| PEP | Phosphoenolpyruvate |
| ADP | Adenosine diphosphate |
| ATP | Adenosine triphosphate |
| HA | Hemagglutinin |
| AIDS | Acquired immunodeficiency syndrome |
| HAART | Highly active antiretroviral therapy |
| PPAR | Peroxisome proliferator-activated receptor |
| COX-2 | Cyclooxygenase-2 |
| EC50 | Half maximal effective concentration |
| GP | Glycogen phosphorylase |
| PLA2 | Phospholipase A2 |
| VEGFR | Vascular endothelial growth factor receptor |
| VEGF | Vascular endothelial growth factor |
| MMP | Matrix metalloproteinase |
| FPPS | Farnesyl pyrophosphate synthase |
| IPP | Isopentenyl pyrophosphate |
| GDH1 | Glutamate dehydrogenase 1 |
| RMSD | Root-mean-square deviation |