Metadata-Version: 2.5
Name: pkpdutils
Version: 1.0.0
Summary: pkpdutils are python utilities for the pharmacokinetic and pharmacodynamic analysis of timecourses and parameters.
Project-URL: Homepage, https://matthiaskoenig.github.io/pkpdutils
Project-URL: Documentation, https://matthiaskoenig.github.io/pkpdutils
Project-URL: Repository, https://github.com/matthiaskoenig/pkpdutils
Project-URL: Issues, https://github.com/matthiaskoenig/pkpdutils/issues
Project-URL: Changelog, https://github.com/matthiaskoenig/pkpdutils/tree/develop/release-notes
Project-URL: Download, https://pypi.org/project/pkpdutils
Author-email: Matthias König <konigmatt@googlemail.com>
Maintainer-email: Matthias König <konigmatt@googlemail.com>
License-Expression: MIT
License-File: LICENSE
Keywords: bioequivalence,drug-drug interaction,meta-analysis,non-compartmental analysis,pharmacodynamics,pharmacokinetics
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.13
Requires-Dist: matplotlib>=3.10.0
Requires-Dist: numpy>=2.2.2
Requires-Dist: pandas>=2.2.0
Requires-Dist: pint>=0.25.3
Requires-Dist: pydantic>=2.10.0
Requires-Dist: rich>=14.0.0
Requires-Dist: scipy>=1.15.0
Requires-Dist: xarray>=2025.1.0
Provides-Extra: dev
Requires-Dist: bump-my-version>=1.5.1; extra == 'dev'
Requires-Dist: mkdocstrings-python>=2.0.8; extra == 'dev'
Requires-Dist: pre-commit>=4.6.2; extra == 'dev'
Requires-Dist: pytest-cov>=7.1.0; extra == 'dev'
Requires-Dist: pytest-xdist>=3.8; extra == 'dev'
Requires-Dist: pytest>=9.1.1; extra == 'dev'
Requires-Dist: ruff>=0.16.6; extra == 'dev'
Requires-Dist: tox>=4.61.2; extra == 'dev'
Requires-Dist: ty>=0.0.79; extra == 'dev'
Requires-Dist: zensical>=0.0.60; extra == 'dev'
Description-Content-Type: text/markdown

# pkpdutils: pharmacokinetic and pharmacodynamic analysis
[![GitHub Actions CI/CD Status](https://github.com/matthiaskoenig/pkpdutils/actions/workflows/ci-cd.yml/badge.svg)](https://github.com/matthiaskoenig/pkpdutils/actions/workflows/ci-cd.yml)
[![Documentation](https://img.shields.io/badge/docs-pkpdutils-3f51b5.svg)](https://matthiaskoenig.github.io/pkpdutils)
[![Version](https://img.shields.io/pypi/v/pkpdutils.svg)](https://pypi.org/project/pkpdutils/)
[![Python Versions](https://img.shields.io/pypi/pyversions/pkpdutils.svg)](https://pypi.org/project/pkpdutils/)
[![MIT License](https://img.shields.io/pypi/l/pkpdutils.svg)](https://opensource.org/licenses/MIT)
[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3997539.svg)](https://doi.org/10.5281/zenodo.3997539)

`pkpdutils` is a python library for the pharmacokinetic (PK) and pharmacodynamic (PD) analysis of timecourses and parameters. It was formerly published as `pkdb-analysis`, the analysis toolbox of [PK-DB](https://pk-db.com); version 1.0.0 is a rewrite without any PK-DB dependency.

Features include

- **non-compartmental analysis** - exposure, peak, terminal phase, clearance and volume parameters of concentration and effect timecourses, single dose and steady state, with units
- **uncertainty** - bootstrap and delta method propagation for group timecourses (mean ± SD), summary statistics over individuals
- **curve fitting** - exponential, Bateman, Emax, dose proportionality and covariate models with standard errors, confidence intervals and model comparison
- **statistics on parameters** - significance tests, geometric mean ratios, bioequivalence, classification of drug–drug interactions, meta-analysis
- **figures** - timecourses, NCA diagnostics, fits, parameter distributions, forest and ratio plots

All data structures are [xarray](https://xarray.dev) datasets with [pint](https://pint.readthedocs.io) units, so many timecourses are analysed in one vectorized call.

The documentation is available at [https://matthiaskoenig.github.io/pkpdutils](https://matthiaskoenig.github.io/pkpdutils).

If you have any questions or issues please [open an issue](https://github.com/matthiaskoenig/pkpdutils/issues).

## How to cite
[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3997539.svg)](https://doi.org/10.5281/zenodo.3997539)

If you use `pkpdutils` please cite the archived software on [Zenodo](https://doi.org/10.5281/zenodo.3997539):

> König, M. & Grzegorzewski, J. (2026). *pkpdutils: pharmacokinetic and pharmacodynamic analysis of timecourses and parameters* \[Computer software\]. Zenodo. https://doi.org/10.5281/zenodo.3997539

## Installation

`pkpdutils` requires python >= 3.13 and is available from [pypi](https://pypi.python.org/pypi/pkpdutils):

```bash
uv add pkpdutils
```

or with pip

```bash
pip install pkpdutils
```

See [Installation](https://matthiaskoenig.github.io/pkpdutils/installation/) for details and [Development](https://matthiaskoenig.github.io/pkpdutils/development/) for working on the repository.

## License

- Source Code: [MIT](https://opensource.org/license/MIT)
- Documentation: [CC BY-SA 4.0](http://creativecommons.org/licenses/by-sa/4.0/)

## Funding

Matthias König is supported by the German Research Foundation (DFG) within the Research Unit Programme FOR 5151 "QuaLiPerF (Quantifying Liver Perfusion-Function Relationship in Complex Resection - A Systems Medicine Approach)" by grant number 436883643 and by grant number 465194077 (Priority Programme SPP 2311, Subproject SimLivA).

Matthias König was supported by the Federal Ministry of Education and Research (BMBF, Germany) within the research network Systems Medicine of the Liver (**LiSyM**, grant number 031L0054).

© 2018-2026 Matthias König & Jan Grzegorzewski.
