In this talk I would like to explore on how to apply the scientific method to in silico experiments. How can we design these experiments, so that they are independent of the software tool that gave rise to them? Over the past decade we have seen the rise of model exchange formats such as the Systems Biology Markup Language (SBML), that enable us to share the models readily with colleagues and between applications.
Here I present the Simulation Experiment Description Markup Language (SED-ML) that aims to do the same thing for in silico experiments. After detailing its history, and where it currently stands, I will give a short overview of the growing tool support.
Driving Behavioral Change for Information Management through Data-Driven Gree...
Applying the Scientific Method to Simulation Experiments
1. Applying the Scien.fic Method
to Simula.on Experiments
Frank
T.
Bergmann,
PhD
California
Ins8tute
of
Technology
University
of
Heidelberg
Bergman@caltech.edu
3. Scien.fic Method
Scien&fic
method
–
body
of
techniques
for
inves3ga3ng
phenomena
and
acquiring
new
knowledge,
as
well
as
for
correc&ng
and
integra&ng
previous
knowledge.
hOp://en.wikipedia.org/wiki/Scien8fic_method
19. Simula.on Experiments
Cura8on
tab
of
BioModel
#9
Curator's comment: (updated: 15 Jul 2013 13:25:23 BST)#
Figure 2B of the reference publication has been reproduced using Copasi 4.10
(Build 55). A logarithmic parameter scan over a range of "MAPKKK activator (Ras)"
values with simultaneous calculation of the steady state was performed.#
Huang
et.
al,
1996,
DOI:
10.1073/pnas.93.19.10078
20. Simula.on Experiments
Curator's comment: (updated: 15 Jul 2013 13:25:23 BST)#
Figure 2B of the reference publication has been reproduced using Copasi 4.10
(Build 55). A logarithmic parameter scan over a range of "MAPKKK activator (Ras)"
values with simultaneous calculation of the steady state was performed.#
Huang
et.
al,
1996,
DOI:
10.1073/pnas.93.19.10078
49. Conclusions
• Opportunity:
Simula8on
Experiments
as
readily
exchangeable
as
computa8onal
models
• Independently
of
SoMware
tools
à
independent
verifica8on
of
results
• Con8nue
in
another
tool
right,
where
you
leM
off
in
one
tool
• Possibility
of
full
documenta8on
of
experiments
• Reuse
the
precisely
same
experiment
for
different
models.
• SoMware
Support
is
growing,
readily
available
in
a
number
of
tools.
50. Next Steps …
• Finalize
SED-‐ML
Level
1
Version
2
• Prototype
on
Version
3
• Export
remaining
experiments
from
the
SBW
Simula8on
Tool
• Finish
work
on
SED-‐ML
exporters
• SED-‐ML
-‐-‐>
Matlab
• SED-‐ML
-‐-‐>
Jarnac
51. Acknowledgements
• SED-‐ML
Editors:
Frank
T.
Bergmann,
Dagmar
Waltemath,
Jonathan
Cooper,
David
Nickerson,
Nicolas
Le
Novère,
Andrew
Miller,
Richard
Adams
• BioModels
Support
Team
• SED-‐ML
Community
• Ursula
Kummer,
Michael
Hucka,
Herbert
Sauro
52. More Informa.on
• SED-‐ML:
hOp://sed-‐ml.org
hOp://8nyurl.com/sed-‐ml-‐l1v2-‐rc
hOps://lists.sourceforge.net/lists/lis8nfo/sed-‐ml-‐discuss/
• SED-‐ML
Web
Tools:
hOp://sysbioapps.dyndns.org/SED-‐ML_Web_Tools
• SBML:
hOp://sbml.org/
hOp://biomodels.net/biomodels