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MaSyMoS: 
Finding hidden treasures in model repositories 
Ron Henkel, December 10, 2014| SWAT4LS Dagmar Waltemath 
http://sems.uni-rostock.de
“We’ve been hearing a common theme from the academic community– 
researchers are having difficulty managing and accessing their data. It 
seems to be an ongoing problem for research scientists” 
Nature Blogs (2014) Nine Worrying Stats on the Effect of Poor Scientific Data Management.
Model 
Entities, network 
of reactions, math 
Fig: Goldbeter (1991), 
http://www.ncbi.nlm.ni 
h.gov/pubmed/1833774 
Annotations 
Compartment: Cell GO:0005623 
Publication: Goldbeter 
PMID:1833774 
M = inactive CDCD2 Kinase: 
UniProt:CDK1a_XENIA 
Fig.: BioModels Database 
Protocols 
Fig.: BioModels Database 
Behavior: Oscillation 
TEDDY_0000006 
Algorithm: Gillespie 
KiSAO:000029
Which are the most frequently used GO 
annotations in my model set? 
Which models are annotated with 
‘Adenosine tri-phosphate’? 
How many models are available for this 
PubMed entry? 
Give me all the files I need to run 
this simulation study. 
Modeling the cell division cycle: cdc2 and cyclin interactions, John J. Tyson, 
Ø 
Ø Ø 
Which models contain reactions with 
'ATP' as reactant and 'ADP' as product? 
Ron Henkel 
1991. SBGN Process Description 
p-cyclin 
cdc2 
p-cyclin 
cdc2-p 
p-cyclin 
cdc2k 
cdc2k-P 
cyclin 
totalcdc2 
Find good candidates for features describing my 
model set. (Alm et al 2014) 
Figure courtesy Ron Henkel, https://peerj.com/preprints/376/
Modeling the cell division cycle: cdc2 and cyclin interactions, John J. Tyson, 
1991. SBGN Process Description 
p-cyclin 
cdc2 
p-cyclin 
cdc2-p 
p-cyclin 
cdc2k 
cdc2k-P 
cyclin 
totalcdc2 
Ø 
Ø Ø 
Tyson 1991 Model (SBML) 
Systems Biology Ontology (OWL) 
Tyson 1991 Simulation Experiment Description (SED-ML) 
Kinetic Simulation Algorithm Ontology (OWL) 
Tyson 1991 Model (CellMl) 
KISAO: 
Ontology 
KISAO:097 KISAO:000 
KISAO:201 
KISAO:019 
KISAO:352 
KISAO:273 KISAO:433 
KISAO:020 
KISAO:447 
Document 
SEDML 
Modelref-erence 
Output 
Data-generator 
Task Simulation 
Variable Variable 
Document 
Tyson1991 
Cell Cycle 6 
var 
Kegg 
sce04111 
Pubmed: 
1831270 
Reaction3 C2 CP pM Cell 
Uniprot: 
P04551 
GO: 
0005623 
Interpro: 
IPR006670 
isDescribedBy 
EC-Code: 
3.1.3.16 
Document 
Tyson_1991 
CP environment 
C2 
CP C2 time time C2 CP 
time 
SBO: 
000064 
SBO: 
Ontology 
SBO:0000 
SBO:545 SBO:544 SBO:004 SBO:231 SBO:003 SBO:236 SBO:064 
Figures courtesy Ron Henkel, https://peerj.com/preprints/376/
Try it out: https://sems.uni-rostock.de/projects/masymos/ 
Martin Scharm 
Martin Peters 
Markus Wolfien 
Srijana Kayastha (not in the picture) 
Vivek Garg (not in the picture) 
Fabienne Lambusch (not in the picture) 
Dagmar Waltemath 
Ron Henkel @SemsProject 
Rebekka Alm 
HERMES-Forschungsförderung 
der Universität Rostock

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Masymos: Finding hidden treasures in model repositories

  • 1. MaSyMoS: Finding hidden treasures in model repositories Ron Henkel, December 10, 2014| SWAT4LS Dagmar Waltemath http://sems.uni-rostock.de
  • 2. “We’ve been hearing a common theme from the academic community– researchers are having difficulty managing and accessing their data. It seems to be an ongoing problem for research scientists” Nature Blogs (2014) Nine Worrying Stats on the Effect of Poor Scientific Data Management.
  • 3. Model Entities, network of reactions, math Fig: Goldbeter (1991), http://www.ncbi.nlm.ni h.gov/pubmed/1833774 Annotations Compartment: Cell GO:0005623 Publication: Goldbeter PMID:1833774 M = inactive CDCD2 Kinase: UniProt:CDK1a_XENIA Fig.: BioModels Database Protocols Fig.: BioModels Database Behavior: Oscillation TEDDY_0000006 Algorithm: Gillespie KiSAO:000029
  • 4. Which are the most frequently used GO annotations in my model set? Which models are annotated with ‘Adenosine tri-phosphate’? How many models are available for this PubMed entry? Give me all the files I need to run this simulation study. Modeling the cell division cycle: cdc2 and cyclin interactions, John J. Tyson, Ø Ø Ø Which models contain reactions with 'ATP' as reactant and 'ADP' as product? Ron Henkel 1991. SBGN Process Description p-cyclin cdc2 p-cyclin cdc2-p p-cyclin cdc2k cdc2k-P cyclin totalcdc2 Find good candidates for features describing my model set. (Alm et al 2014) Figure courtesy Ron Henkel, https://peerj.com/preprints/376/
  • 5. Modeling the cell division cycle: cdc2 and cyclin interactions, John J. Tyson, 1991. SBGN Process Description p-cyclin cdc2 p-cyclin cdc2-p p-cyclin cdc2k cdc2k-P cyclin totalcdc2 Ø Ø Ø Tyson 1991 Model (SBML) Systems Biology Ontology (OWL) Tyson 1991 Simulation Experiment Description (SED-ML) Kinetic Simulation Algorithm Ontology (OWL) Tyson 1991 Model (CellMl) KISAO: Ontology KISAO:097 KISAO:000 KISAO:201 KISAO:019 KISAO:352 KISAO:273 KISAO:433 KISAO:020 KISAO:447 Document SEDML Modelref-erence Output Data-generator Task Simulation Variable Variable Document Tyson1991 Cell Cycle 6 var Kegg sce04111 Pubmed: 1831270 Reaction3 C2 CP pM Cell Uniprot: P04551 GO: 0005623 Interpro: IPR006670 isDescribedBy EC-Code: 3.1.3.16 Document Tyson_1991 CP environment C2 CP C2 time time C2 CP time SBO: 000064 SBO: Ontology SBO:0000 SBO:545 SBO:544 SBO:004 SBO:231 SBO:003 SBO:236 SBO:064 Figures courtesy Ron Henkel, https://peerj.com/preprints/376/
  • 6. Try it out: https://sems.uni-rostock.de/projects/masymos/ Martin Scharm Martin Peters Markus Wolfien Srijana Kayastha (not in the picture) Vivek Garg (not in the picture) Fabienne Lambusch (not in the picture) Dagmar Waltemath Ron Henkel @SemsProject Rebekka Alm HERMES-Forschungsförderung der Universität Rostock