Dörr, Alexander and Keller, Roland and Zell, Andreas and Dräger, Andreas

SBMLsimulator: a Java tool for model simulation and parameter estimation in systems biology

Computation vol. 2 (2014), no. 4, pp. 246-257


Abstract

The identification of suitable model parameters for biochemical reactions has been recognized as a quite difficult endeavor. Parameter values from literature or experiments can often not directly be combined in complex reaction systems. Nature-inspired optimization techniques can find appropriate sets of parameters that calibrate a model to experimentally obtained time series data. We present SBMLsimulator, a tool that combines the Systems Biology Simulation Core Library for dynamic simulation of biochemical models with the heuristic optimization framework EvA2. SBMLsimulator provides an intuitive graphical user interface with various options as well as a fully-featured command-line interface for large-scale and script-based model simulation and calibration. In a parameter estimation study based on a published model and artificial data we demonstrate the capability of SBMLsimulator to identify parameters. SBMLsimulator is useful for both, the interactive simulation and exploration of the parameter space and for the large-scale model calibration and estimation of uncertain parameter values.


Downloads and Links

[doi] [pdf] [pdf]


BibTeX

@article{Doerr2014a,
  author = {D\"orr, Alexander and Keller, Roland and Zell, Andreas and Dr\"ager,
	Andreas},
  title = {{SBMLsimulator: a Java tool for model simulation and parameter estimation
	in systems biology}},
  journal = {Computation},
  year = {2014},
  volume = {2},
  pages = {246--257},
  number = {4},
  month = dec,
  abstract = {The identification of suitable model parameters for biochemical reactions
	has been recognized as a quite difficult endeavor. Parameter values
	from literature or experiments can often not directly be combined
	in complex reaction systems. Nature-inspired optimization techniques
	can find appropriate sets of parameters that calibrate a model to
	experimentally obtained time series data. We present SBMLsimulator,
	a tool that combines the Systems Biology Simulation Core Library
	for dynamic simulation of biochemical models with the heuristic optimization
	framework EvA2. SBMLsimulator provides an intuitive graphical user
	interface with various options as well as a fully-featured command-line
	interface for large-scale and script-based model simulation and calibration.
	In a parameter estimation study based on a published model and artificial
	data we demonstrate the capability of SBMLsimulator to identify parameters.
	SBMLsimulator is useful for both, the interactive simulation and
	exploration of the parameter space and for the large-scale model
	calibration and estimation of uncertain parameter values.},
  doi = {10.3390/computation2040246},
  issn = {2079-3197},
  keywords = {SBML; ODE modeling; Simulation; Parameter estimation},
  pdf = {http://www.mdpi.com/2079-3197/2/4/246/pdf},
  url = {http://www.mdpi.com/2079-3197/2/4/246}
}