| 3D | Three-dimensional |
| ADMET | Absorption, distribution, metabolism, excretion, and toxicity |
| ADT | AutoDock Tools |
| ARG | Arginine |
| ASN | Asparagine |
| ASP | Aspartic acid |
| AtomQ | Qualifying Atom |
| CYP450 | Cytochrome P450 |
| DonAcc | Dual donor/acceptor |
| F | Feature number |
| GBVI/WSA | Generalized-born volume integral/weighted surface area |
| GLN | Glutamine |
| GMQE | Global model quality estimate |
| Hyd | Hydrophobic region |
| ILE | Isoleucine |
| Km | Michaelis-Menten constant |
| LEU | Leucine |
| LIN | Linalool |
| LINAct | Linalyl acetate |
| MOE | Molecular Operating Environment |
| PHE | Phenylalanine |
| PSA | Polar surface area |
| RMS | Root mean square |
| RMSD | Root mean square deviation |
| SER | Serine |
| THR | Threonine |
| TYR | Tyrosine |
| VAL | Valine |
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