EV–PK Simulator: A CSV-first PK/PD toolkit for extracellular vesicles (v1.0.0)

EV–PK Simulator is a CSV-first, demotion-aware pharmacokinetics toolkit for extracellular vesicles (EVs), providing an end-to-end PK+PD workflow: fit 1/2/3-compartment macro-exponential models, select models via AICc with identifiability guards (rate separation and tail-AUC checks) with automatic demotion (3→2, 2→1), explore routes/regimens (IV bolus/infusion/oral/SC) with a plan builder and regimen comparison, link PK to built-in PD models (bacteria CFU kill; PMM2 activity rescue), and export one-click judge-friendly PDF reports. Key features 1c/2c/3c macro-exponential fitting with stability guards and ordered macro rates (α > β > γ). Model selection and automatic demotion using AICc + rate-separation + tail-AUC criteria. Route & dosing regimen explorer (IV bolus / short infusion / oral / SC) with plan builder. Regimen comparison with KPIs (Cmax, Tmax, AUC) and overlay plots. PK→PD linkage: bacterial CFU dynamics and PMM2 activity rescue. PDF reports with parameters, diagnostics, selection/demotion badges, and plots. Reproducibility helpers: benchmarks and sample reports. Links Live web app: https://igem.ardabakici.com/ Source code: https://github.com/Aman-Sunesh/EV-PK-Simulator This Zenodo record archives release v1.0.0 for long-term citation via DOI.