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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. The PBTK-model IndusChemate 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 first version 1.0 was published in August 2010. In 2011 the model has been extended to version 2.0. This version holds the physiology of several human subjects and experimental animals. It came available as version 2.00 in November 2011.

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.

Links for downloads of the software and the manual of PBTK-model IndusChemFate.

The scientific background of the PBTK-model is presented in two papers. Comparisons of results of simulations with experimental results of studies with known dosimetry and body fluid concentrations of various compounds are also presented in the two papers.

Version: 1.0

Year: 2010
Software as MS Excel application: IndusChemFate model 1.6
User manual: Manual 1.5
References: 1. Jongeneelen & ten Berge 2011a
2. Jongeneelen & ten Berge 2011b

Version: 2.0

Year: 2011
Software as MS Excel application: IndusChemFate model 2.00
User manual: Manual 2.00
References: —
Scientific references of the PBTK-model IndusChemFate

No1. PUBMED; Paper in AOH. 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. Annals of Occupational Hygiene (2011a) 55: 841-864. (Paper + two supplements)

No2. PUBMED: Paper in IAOEH. 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. International Archives of Occupational and Environmental Health (2011b). Online First, 29 October 2011.

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.

Posters and Presentations:

Skin absorption of (volatile) liquids: a Skin-PBPK model

Simulation of blood and urine levels with a newly developed generic Physiologically Based ToxicoKinetic (PBTK) model

Airmon 2011


NVVA Symposium 2012, Zeist, NL

Cefic-Lri Programme Responsible Care

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