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Model Curation Edmund J. Crampin Auckland Bioengineering Institute

Model Curation Edmund J. Crampin Auckland Bioengineering Institute. CellML Curation MIRIAM Automated Curation What is a valid ‘reference description’? Going Further models and data community forum. Curation of CellML Models . http://www.cellml.org/notes/curation-document/ Level 0

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Model Curation Edmund J. Crampin Auckland Bioengineering Institute

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  1. Model CurationEdmund J. CrampinAuckland Bioengineering Institute CellML Curation MIRIAM Automated Curation What is a valid ‘reference description’? Going Further • models and data • community forum

  2. Curation of CellML Models http://www.cellml.org/notes/curation-document/ • Level 0 • not curated • Level 1 • encoded model represents published model • Level 2 • encoded model reproduces published results • Level 3 • encoded model satisfies domain-specific requirements Levels are not a hierarchy – Level 2 compliance may break Level 1 compliance

  3. Level 2: Validity Checking • Validation • Simulates reference set of results • Simulation / Graphing Metadata (Andrew and Andre) • Reference Description • Script process of running model, generating plots, validating against published results

  4. Domain-Specific Requirements • Units • Biophysics • Mass balance • Charge balance • Osmotic balance • Thermodynamic consistency • Mathematics • ICs • BCs • well-posed

  5. MIRIAM • Minimum Information Requested In the Annotation of (Biochemical) Models Le Novère et al., Nature Biotechnology 23 1509-1515, 2005 http://www.ebi.ac.uk/compneur-srv/miriam/ • Arose from ICSB 2004 Heidelberg • Proposal in 2 parts: • Correspondence to a Reference Description • Set of rules for dealing with encoding, structure and results when simulated • Annotation scheme • documentation of model

  6. MIRIAM Reference Correspondence • Encoding in public, machine-readible format • Compliance with standard in which encoded • Explicit relationship to a set of results • Model structure should reflect biological processes • Instantiation in a simulation (all quantitative attributes defined – ICs, parameters etc) • Instantiation of simulation reproduces set of results listed in 3.

  7. MIRIAM Annotation Scheme • Attribution Annotation: • association of the model with reference description and encoding process • External Data Resources Annotation: • link model components to corresponding databases, ontologies (etc.) • allows models to be queried

  8. MIRIAM Attribution Annotation • Name of model • Citation (of Reference Description) • Name(s) of creator(s) of encoding • Time and date of encoding and modifications • Statement of terms of distribution

  9. MIRIAM Resources • External data resources annotation • Database and web services to map Unique Resource Identifiers (URIs) to worldwide open access bioinformatics resources • Implemented in biomodels.net

  10. Automating Curation • What can be automated? • What must be manually curated? • Units (Jsim, Jonathan Cooper – Oxford) • Checking of biophysical properties? (mass, charge, osmotic balance?)

  11. What is a valid reference description? • MIRIAM: • Scientific article • Any other unique publication, print or online, which describes precisely the structure of the model, parameters, and expected output • Encoded model must correspond to a single RD. • Better (?) • Can an annotated CellML model be its own reference description? • ModelML?

  12. Going Further • Relationship between model and data • Databasing of data used to fit models • Automated validation of model results against newly added data sets • Community commentary • Comments from authors • Critiques from community • ‘Expert’ information • Moderated forum?

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