theophylline_study001_raw.csv
12 Subjects • 156 Records
Uploaded 5 mins ago • Auto-detected format: Single-dose oral clinical trial
Clinical Column Cross-Mapping
Confirm roles for study variables (auto-matched by header names).
| Your Column | Assigned Clinical Meaning | Type / Unit | Status |
|---|---|---|---|
| ID | Integer (1..12) | ✓ Valid | |
| TIME | Hours (0..24.5) | ✓ Valid | |
| CONC (DV) | mg/L | ✓ Valid | |
| DOSE (AMT) | 320 mg | ✓ Valid | |
| WEIGHT (WT) | kg | ✓ Valid |
Henry AI Data Wrangling
Henry analyzes column headers only (zero patient data sent) and automatically writes clean R transformation recipes.
Auto-Standardize Time
Relative elapsed hours computed from first administration.
Virtual C(0) Insertion
Inserts C(0)=0 for oral dose profiles for trapezoidal AUC.
# Executed locally in R container (Zero cloud leak)
Cleaned Analysis Data Preview
144 clinical observations + 12 virtual zero-time insertions. Ready for analysis.
Filter Subject:
| Row | Subject ID | Time (Hours) | Concentration (mg/L) | Dose (mg) | Weight (kg) | Clinical Note | Exclude |
|---|---|---|---|---|---|---|---|
| 1 | 003 | 0.00 | 0.00 | 320 | 70.5 | Pre-dose baseline | |
| 2 | 003 | 0.50 | 2.80 | 0 | 70.5 | - | |
| 3 | 003 | 1.00 | 8.20 | 0 | 70.5 | - | |
| 4 | 003 | 2.00 | 10.50 | 0 | 70.5 | Peak Concentration (Cmax) | |
| 5 | 003 | 4.00 | 6.80 | 0 | 70.5 | - | |
| 6 | 003 | 8.00 | 4.50 | 0 | 70.5 | - |
Tab 2: Non-Compartmental PK Analysis (PKNCA)
|
✓ Lin-Up / Log-Down Trapeze Rule
Semi-Log Plasma Concentration vs Time
ggplot2 Publication Standard
Half-life (t½): 14.35 h
Terminal Slope (λz): 0.0483 h⁻¹
Extrapolation: 8.4% (< 20%)
Peak Conc (Cmax)
10.50
mg/L
Total Exposure (AUC)
102.4
mg·h/L
Clearance (CL/F)
3.13
L/h
Clinical PK Parameters Across All Subjects (N=12)
| Subject | Cmax (mg/L) | Tmax (h) | AUClast | AUCinf | CL/F (L/h) | t½ (h) |
|---|---|---|---|---|---|---|
| 001 | 8.40 | 1.50 | 68.4 | 72.1 | 4.44 | 13.2 |
| 002 | 9.20 | 1.00 | 82.1 | 87.5 | 3.66 | 15.1 |
| 003 | 10.50 | 2.00 | 94.8 | 102.4 | 3.13 | 14.4 |
| 004 | 7.90 | 1.50 | 71.5 | 76.8 | 4.17 | 12.8 |
| Geometric Mean | 8.95 | 1.42 | 74.2 | 81.6 | 3.92 | 13.8 |
Auto-Priors Ready for Population Modeling
Calculated
NCA geometric means will seed initial values for NONMEM: Clearance (CL/F) = 3.92 L/h, Volume (V/F) = 77.8 L, Absorption (ka) = 1.45 h⁻¹.
Tab 3: Population PK Modeling (NONMEM 7.6.0)
|
2-Core Serverless Compute Ready
1. Select Drug Distribution Model
1-Compartment Model
Drug distributes uniformly throughout the body.
2-Compartment Model
Rapid initial distribution into blood + slower tissue equilibration.
2. Administration & Starting Parameter Values
Clearance (CL/F):
3.92 L/h (from NCA)
Volume (V/F):
77.8 L (from NCA)
Absorption Rate (ka):
1.45 h⁻¹ (from NCA)
Model Fit Health Checks
Objective Function (OFV): 242.18
Convergence
✅ Successful
18 iterations
Fit Quality (R²)
✅ High (0.98)
Identity line match
Variability (CV%)
18.2%
Low between-subject
Standard 4-Panel Goodness-of-Fit (GOF) Diagnostics
ggplot2 + patchwork
Observed vs Population Pred
[ 1:1 Identity Line + LOWESS ]
Observed vs Individual Pred
[ Tight Individual Tracking ]
Residuals vs Time
[ ±2 SD Boundary Check ]
Residuals vs Predictions
[ Zero Variance Fan ]