Table 1:
Overview of variables and their symbols used in the machine learning models
| Variable | Unit | Symbol | Levels or Ranges |
|---|---|---|---|
| Nanoparticle’s properties | |||
| Type of nanoparticles | - | Type | Inorganic; Organic; Hybrid |
| Core materials of nanoparticles | - | MAT | Gold, Dendrimers, Liposomes, Polymeric, Hydrogels, Other Organic Material, Other Inorganic Material |
| Shape of nanoparticles | - | Shape | Spherical, Rod, Plate, Others |
| Hydrodynamic diameter | nm | HD | [5, 456] |
| Zeta potential | mV | ZP | [0, 274] |
| Charge | - | Charge | Positive; Negative; Neutral |
| Tumor therapy strategies | |||
| Targeting strategy | - | TS | Passive, Active |
| Tumor model | - | TM | Allograft Heterotopic, Allograft Orthotopic, Xenograft Heterotopic, Xenograft Orthotopic |
| Cancer type | - | CT | Brain, Breast, Cervix, Colon, Liver, Lung, Ovary, Pancreas, Prostate, Skin |
| Tumor weight | g | TW | [0.02, 5.09] |
| Tumor size | cm | TSiz | [0.02, 1.8] |
| Dosing regimen | |||
| Dose | mg/kg | Dose | [0.001, 1220] |
| Body weight | g | BW | [16, 35] |
| Administrated route | - | AR | IV |
| PBPK model parameters | |||
| Release rate constant of tumor cells | 1/h | KTRES_rel | [0.0001, 14] |
| Maximum uptake rate constant of tumor cells | 1/h | KTRES_max | [0.001, 25] |
| Hill coefficient of tumor cells | - | KTRES_n | [0.01, 10] |
| Time reaching half maximum uptake rate of tumor cells | h | KTRES_50 | [0.00001, 180] |
| Tumor delivery efficiency | |||
| DE at 24 hours | %ID | DE24 | [0.008, 50] |
| DE at 168 hours | %ID | DE168 | [0.003, 23.8] |
| Maximum DE | %ID | DEmax | [0.008, 56.9] |
Abbreviations: DE, delivery efficiency; ID, injected dose; NPs, nanoparticles; PBPK, Physiologically based pharmacokinetic.