PSExplorer: whole parameter space exploration for molecular signaling pathway dynamics

Bioinformatics. 2010 Oct 1;26(19):2477-9. doi: 10.1093/bioinformatics/btq440. Epub 2010 Aug 2.

Abstract

Motivation: Mathematical models of biological systems often have a large number of parameters whose combinational variations can yield distinct qualitative behaviors. Since it is intractable to examine all possible combinations of parameters for non-trivial biological pathways, it is required to have a systematic strategy to explore the parameter space in a computational way so that dynamic behaviors of a given pathway are estimated.

Results: We present PSExplorer, a computational tool for exploring qualitative behaviors and key parameters of molecular signaling pathways. Utilizing the Latin hypercube sampling and a clustering technique in a recursive paradigm, the software enables users to explore the whole parameter space of the models to search for robust qualitative behaviors. The parameter space is partitioned into sub-regions according to behavioral differences. Sub-regions showing robust behaviors can be identified for further analyses. The partitioning result presents a tree structure from which individual and combinational effects of parameters on model behaviors can be assessed and key factors of the models are readily identified.

Availability: The software, tutorial manual and test models are available for download at the following address: http://gto.kaist.ac.kr/∼psexplorer.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Signal Transduction*
  • Software*
  • Systems Biology / methods*