Real-World Theophylline Analysis
Complete pharmacokinetic analysis workflow using the classic theophylline dataset
from the nlmixr2 package.
Dataset
- Source: Boeckmann AJ, Sheiner LB, Beal SL (1994). NONMEM Users Guide: Part V
- Subjects: 12 healthy adults
- Route: Oral administration
- Observations: ~11 concentration measurements per subject over 24h
- Covariates: Body weight (WT)
Workflow Steps
This use case demonstrates a complete PK analysis workflow:
| Step |
Script |
Description |
| 1 |
01_data_exploration.jl |
Load and explore the dataset |
| 2 |
02_nca_analysis.jl |
Non-compartmental analysis |
| 3 |
03_model_fitting.jl |
One-compartment oral model fitting |
| 4 |
04_diagnostics.jl |
Goodness-of-fit and residual diagnostics |
| 5 |
05_vpc.jl |
Visual predictive check |
| 6 |
06_report.jl |
Generate summary report |
Quick Run
# Run complete workflow
julia --project=packages/core docs/examples/use_cases/real_world_theophylline/run.jl
# Validate outputs
julia --project=packages/core docs/examples/use_cases/real_world_theophylline/validate.jl
Expected Results
NCA Metrics (Population Mean)
| Metric |
Value |
Units |
| Cmax |
8.2 |
mg/L |
| Tmax |
1.5 |
h |
| AUC_0_24 |
114 |
mg*h/L |
| t_half |
8.5 |
h |
Model Parameters (Population Estimates)
| Parameter |
Estimate |
CV% |
| Ka |
1.5 h⁻¹ |
25 |
| CL |
0.04 L/h/kg |
20 |
| V |
0.5 L/kg |
15 |
See Also