IndusChemFate is a generic PBTK (physiologically-based toxicokinetic) model currently being developed by Cefic LRI in collaboration with IndusTox Consult as part of the project HBM2 “Development of a computer programme with a multi-level modelling tool for the estimation of biomonitoring equivalent guidance values for chemical agents related to health based exposure rates for inhalation, oral intake and/or skin exposure.”
Inhalation, oral intake and/or dermal exposure to a chemical may lead to uptake in the body. IndusChemFate can be used to estimate the level of a chemical in various body tissues and body fluids following exposure. IndusChemFate is a generic PBTK-model, applicable for volatile and semi-volatile chemicals. The model contains algorithms as QSPRs (= Quantitative Structure-Property Relationships) for blood:air, tissue:blood partitioning and for urinary excretion. IndusChemFate estimates concentrations and amounts in body fluids and in organs after inhalation, oral intake or dermal exposure according to user defined exposure scenarios. It is regarded as a first tier or screening tool.
The software-application is available as a MS Excel spreadsheet-file. The source code is written in Visual Basic and is not password protected. The developmental work has been done by IndusTox Consult and Santoxar. The data entry proceeds via input in worksheets of the MS Excel-file. Output is presented as numerical listing of amounts and concentrations over time and in graphs of concentrations in body fluids over time.
The software is downloadable as freeware. The source code is not password protected. Latest updates of both versions are downloadable from this page together with the corresponding user manual.
Version 1.0 was released in 2010. Software as MS Excel application: IndusChemFate model 1.6
Version 2.0 was released in 2011. Software as MS Excel application: IndusChemFate model 2.00
Version 1.0: Manual 1.5
Version 2.0: Manual 2.00
Following the public release of the new version 2.0 of IndusChemFate, IndusTox Consult will organize interactive training courses for users in 2012 and onwards. More information on the program of workshops and the agenda of workshops is available at the website of IndusTox Consult.
If you wish to acquire an overview of the IndusChemFate model, the aim of the project and get a hands-on demonstration of the running of the software, watch the relevant video on youtube: http://www.youtube.com/watch?v=SA1F_pLBWa0.
Frans J. Jongeneelen & Wil F. ten Berge. A Generic, Cross-Chemical Predictive PBTK Model with Multiple Entry Routes Running as Application in MS Excel; Design of the Model and Comparison of Predictions with Experimental Results. Ann Occup Hyg. 2011 Oct;55(8):841-64.
Frans J. Jongeneelen & Wil F. ten Berge. Simulation of urinary excretion of 1-hydroxypyrene in various scenarios of exposure to PAH with a generic, cross-chemical predictive PBTK-model. Int Arch Occup Environ Health. 2012 Aug;85(6):689-702.
W. ten Berge, D. Huizer and F. Jongeneelen. Skin absorption of (volatile) liquids: a Skin-PBPK model.
F. Jongeneelen, W. ten Berge. Simulation of blood and urine levels with a newly developed generic Physiologically Based ToxicoKinetic (PBTK) model.