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Workshop: Linking Models and Data in SysMO

Workshop: Linking Models and Data in SysMO. Katy Wolstencroft, SysMO-DB University of Manchester, UK. Outline. The modelling process Relating data and models Where did the data come from for developing the model? Where did the data come from for validating the model?

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Workshop: Linking Models and Data in SysMO

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  1. Workshop: Linking Models and Data in SysMO Katy Wolstencroft, SysMO-DB University of Manchester, UK

  2. Outline • The modelling process • Relating data and models • Where did the data come from for developing the model? • Where did the data come from for validating the model? • What were the results of model simulations? • What you do in your own projects? • Storage, sharing • How you publish models?

  3. Aims • Gather requirements for model management in SysMO-SEEK • Work out common practices and determine “Just enough” for publishing and sharing in SysMO-SEEK

  4. Sharing information between experimentalists and modellers. SysMO-DB Framework

  5. Sharing in SysMO-SEEK A Catalogue of SysMO assets • SysMO Yellow Pages • The people and their expertise • The institutions and their facilities • Data – experimental data sets • Data – analysed results • Data – external reference data sets • Models • Model simulation results • Processes – laboratory protocols and bioinformatics analyses The catalogue references assets held elsewhere

  6. Experimentalists Modellers Exchange Bioinformaticians Exchange Exchange Exchange

  7. Data in context JERM • JERM “Just Enough Results Model” • Minimum information to exchange data • What type of data is it • Microarray, growth curve, enzyme activity… • What was measured • Gene expression, OD, metabolite concentration…. • What do the values in the datasets mean • Units, time series, repeats…. • Which experiment does it relate to • How was the data created • SOPs and protocols • Harvesting standards, current practice and consortium schemas and spreadsheets ISA-TAB

  8. ISA-TABInvestigation, Study Assay Data in the context of the experiment(s) that produced it Experiments range from one assay to complex multi-assay studies employing one or more technologies in combination

  9. Models Models can be shared in SysMO-SEEK in any format SBML is the recommended format SBML models can be simulated in JWS Online Still to do: Models and data association Models in their experimental context

  10. In the Community • Models can be published in public repositories • JWS Online, BioModels • Models can be annotated • SBML, MIRIAM, SBO • Currently no public resources for sharing models with associated data

  11. Today • Examples of modelling practices • Jacky Snoep • Neil Swainston and Daniel Jameson (MCISB) • Discussion about your modelling practices • Looking at data management in SEEK and the ISA framework • Could ISA be used for relating models and data?

  12. Acknowledgements • SysMO-DB Team • SysMO-PALS • myGrid, EML and JWS Online teams • OMII-UK, Uni Southampton • EMBL-EBI, MCISB

  13. Summary

  14. JWS Online • Data from SEEK should be made available in JWS online simulator • Promotion of SBML and overcoming tooling problems • Look into libSBML and SBToolbox for matlab conversion • Identify problems for simulating SBML in JWS Online

  15. Annotations • Lists of recommended databases and controlled vocabularies should be made available for SysMO • Guidelines for specificity • MIRIAM.csv file in SEEK

  16. ISA Linking • Models and data should be separated at the assay level • Models and experimental work can then be part of the same study • Assay types need to be extended to include types of models • Clear distinctions should be made between construction and validation data

  17. Tools • Kinetics wizard • JWS Online • Key Results • Semantic SBML

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