Publication: ADGenKinetics: An Algorithmically Differentiated Library for Biochemical Networks Modeling via Simplified Kinetics Formats
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ADGenKinetics: An Algorithmically Differentiated Library for Biochemical Networks Modeling via Simplified Kinetics Formats

- Part of a collection -
 

Area
Biogeochemistry, Differential-Algebraic Equation

Author(s)
Atiyah Elsheikh

Published in
Modelica'2012, The 9th International Modelica Conference

Year
2012

Publisher
Linköping University Electronic Press, Linköpings universitet

Abstract
This work demonstrates the compact but powerful freely available Modelica library ADGenKinetics for descriptive modeling of biochemical reaction networks using simplified kinetics formats. While existing powerful works and guidelines for modeling biochemical reaction networks based on classical mechanistic kinetics already exist, in this work a first attempt of utilizing the power of Modelica constructs for providing a compact implementation of simplified kinetic formats with generalized structured formulas is presented. This gives the opportunity of realizing biochemical reaction networks using few number of reaction components, in contrast to libraries based on classical mechanistic kinetics which require hundreds of reaction components. ADGenKinetics is the first algorithmically differentiated Modelica library that is enhanced with differentiated components by which parameter sensitivities are additionally computed with minimal efforts from the user perspective.

AD Tools
ADModelica

AD Theory and Techniques
Forward Mode, Equation-based AD

BibTeX
@INPROCEEDINGS{
         Elsheikh2012AAA,
       author = "Atiyah Elsheikh",
       title = "{ADGenKinetics}: An Algorithmically Differentiated Library for Biochemical Networks
         Modeling via Simplified Kinetics Formats",
       booktitle = "Modelica'2012, The 9th International Modelica Conference",
       year = "2012",
       number = "076",
       series = "",
       pages = "915--926",
       address = "Munich, Germany",
       month = "Sep.",
       publisher = "",
       note = "Library available online at https://www.modelica.org/libraries/adgenkinetics",
       abstract = "This work demonstrates the compact but powerful freely available Modelica library
         ADGenKinetics for descriptive modeling of biochemical reaction networks using simplified kinetics
         formats. While existing powerful works and guidelines for modeling biochemical reaction networks
         based on classical mechanistic kinetics already exist, in this work a first attempt of utilizing the
         power of Modelica constructs for providing a compact implementation of simplified kinetic formats
         with generalized structured formulas is presented. This gives the opportunity of realizing
         biochemical reaction networks using few number of reaction components, in contrast to libraries
         based on classical mechanistic kinetics which require hundreds of reaction components. ADGenKinetics
         is the first algorithmically differentiated Modelica library that is enhanced with differentiated
         components by which parameter sensitivities are additionally computed with minimal efforts from the
         user perspective.",
       doi = "ecp12076915",
       keywords = "Enzyme Kinetics, Biochemical Reaction Networks, Systems Biology, Algorithmic
         Differentiation",
       owner = "ElsheikhA",
       timestamp = "2012.09.20",
       url = "http://www.ep.liu.se/ecp/076/095/ecp12076095.pdf",
       ad_area = "Biogeochemistry, Differential-Algebraic Equation",
       ad_tools = "ADModelica",
       ad_theotech = "Forward Mode, Equation-based AD"
}


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