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Introduction to NeoPKPD

Transparent, Validated PK/PD Modeling Infrastructure

NeoPKPD is an open-source platform for pharmacokinetic and pharmacodynamic modeling, built for reproducibility, scientific rigor, and regulatory compliance.

What is NeoPKPD?

NeoPKPD is a comprehensive pharmacometrics platform that provides:

  • Validated PK/PD Models - Industry-standard compartmental models with full mathematical transparency
  • Population Simulation - Inter-individual and inter-occasion variability modeling
  • Parameter Estimation - FOCE-I, SAEM, and Laplacian methods for NLME estimation
  • Non-Compartmental Analysis - FDA/EMA-compliant exposure metrics
  • Clinical Trial Simulation - Virtual trial design and power analysis
  • Professional Visualization - Publication-ready plots with dual backend support

Why NeoPKPD?

Transparency

Every model equation, algorithm, and numerical method is documented and open for inspection. No black boxes.

Reproducibility

JSON-serialized artifacts capture complete simulation state, enabling bit-exact reproduction across versions and platforms.

Dual-Language Support

Write your analysis in Julia for maximum performance, or Python for seamless integration with data science workflows.

Regulatory-Ready

NCA calculations follow FDA/EMA guidelines. VPC and diagnostic plots meet regulatory submission standards.

  • Julia Documentation

    Complete reference for the Julia core library

    Julia Docs

  • Python Documentation

    Python bindings with visualization support

    Python Docs

  • Getting Started

    Install NeoPKPD and run your first simulation

    Get Started

Core Capabilities

Pharmacokinetic Models

Model Compartments Route Key Application
One-Compartment 1 IV/Oral Simple kinetics
Two-Compartment 2 IV/Oral Distribution phase
Three-Compartment 3 IV Deep tissue binding
Transit Absorption N+1 Oral Delayed absorption
Michaelis-Menten 1 IV Saturable elimination
TMDD 2-3 IV Target-mediated disposition

Pharmacodynamic Models

Model Type Mechanism
Direct Emax Direct Immediate response
Sigmoid Emax Direct Hill equation
Effect Compartment Indirect Biophase equilibration
Indirect Response (I-IV) Indirect Turnover modulation
Disease Progression Complex Biomarker dynamics

Analysis Workflows

graph LR
    A[Define Model] --> B[Simulate Population]
    B --> C[Estimate Parameters]
    C --> D[Validate with VPC]
    D --> E[Clinical Trial Simulation]
    E --> F[Power Analysis]

Platform Architecture

NeoPKPD is organized as a monorepo with three main packages:

neopkpd/
├── core/           # Julia core library (NeoPKPD.jl)
├── packages/
│   ├── python/     # Python bindings (neopkpd)
│   └── cli/        # Command-line interface
├── validation/     # Golden artifacts for reproducibility
└── docs/           # This documentation

Learn more about the architecture →

Version Information

Component Version
NeoPKPD 0.1.0
Event Semantics 1.0.0
Solver Semantics 1.0.0
Artifact Schema 1.0.0

Next Steps