rPBK

Inference and Prediction of Generic Physiologically-Based Kinetic Models

Christelle Lopes, Sandrine Charles, Virgile Baudrot

Last update: 26 February 2024

Copyright license: MIT license, File License

Software version identifier: 0.2.1, 0.2.0, 0.2.2, 0.2.3, 0.2.4

Description

Fit and simulate any kind of physiologically-based kinetic ('PBK') models whatever the number of compartments. Moreover, it allows to account for any link between pairs of compartments, as well as any link of each of the compartments with the external medium. Such generic PBK models have today applications in pharmacology (PBPK models) to describe drug effects, in toxicology and ecotoxicology (PBTK models) to describe chemical substance effects. In case of exposure to a parent compound (drug or chemical) the 'rPBK' package allows to consider metabolites, whatever their number and their phase (I, II, ...). Last but not least, package 'rPBK' can also be used for dynamic flux balance analysis (dFBA) to deal with metabolic networks. See also Charles et al. (2022) <doi:10.1101/2022.04.29.490045>.

Cites work

Generic solving of physiologically-based kinetic models in support of next generation risk assessment due to chemicals

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