PK Simulator

Compartmental Modeling, NCA & Parameter Fitting in Python

Overview

Python-based pharmacokinetic simulator implementing one- and two-compartment models, non-compartmental analysis (NCA), parameter fitting, and multiple dose steady-state simulation. Built following FDA PBPK Modeling Workshop training (2024).

Features

• One-compartment IV bolus and oral (first-order absorption)
• Two-compartment ODE system (central vs peripheral distribution)
• NCA: AUC (linear-log trapezoidal), Cmax, Tmax, t½, CL, Vd
• Non-linear least squares parameter fitting (scipy.optimize)
• Multiple dose simulation with steady-state Css prediction
• Interactive Plotly dashboard

Results

Tools

Python · numpy · scipy · pandas · matplotlib · plotly

Author

Nadia Tasnim Ahmed, PhD
Pharmaceutical Data Scientist | LC-MS · PBPK · CMC