| ABS | Absorption |
| ADME | absorption, distribution, metabolism and excretion |
| BBB | blood-brain barrier |
| BOILED-Egg | brain or intestinal estimated |
| CNS | central nervous system |
| CPCM | Conductor-like Polarizable Continuum Model |
| CSD | Cambridge Structure Database |
| DFMO | difluoroornithine |
| DFT | Density Functional Theory |
| de | distances from the Hirshfeld surface to the nearest atom outside (external) the surface |
| di | distances from the Hirshfeld surface to the nearest atom inside (internal) the surface |
| dnorm | normalized contact distance |
| EP | molecular electrostatic potential |
| FLEX | flexibility |
| HIA | human gastrointestinal absorption |
| HS | Hirshfeld surface analysis |
| FP | fingerprint plots |
| GI | gastro intestinal absorption |
| INSATU | insaturation |
| INSOLU | insolubility |
| LIPO | lipophilicilty |
| LSAM | Long-Range Synthon Aufbau Module |
| LSHB | the Lippincott and Schroeder H-bond model |
| P-gp | P-glycoprotein |
| POLAR | polarity |
| RCSB PDB | Research Collaboratory fof Structural Bioinformatics |
| RO5 | rule-of-five |
| SC-XRD | single-crystal X-ray diffraction |
| SMILES | simplified molecular-input line-entry system |
| SIB | Swiss Institute of Bioinformatics |
| TPSA | topological polar surface area |
| vdW | van derWaals radii |