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SEEK for Science: A Data and Model Management Platform to support Open and Reproducible Science in Systems Biology

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SEEK for Science: A Data and Model Management Platform to support Open and Reproducible Science in Systems Biology

  1. 1. SEEK for Science: A Data Management Platform to support Open and Reproducible Science Professor Carole Goble The University of Manchester UK BOSC 2014, 12th July 2014
  2. 2. Hypothesis Generation Public Data Acquisition Experiment and Data Generation Public Data Acquisition Model Analysis Biological insight Biological insight Experiment Analysis Model Validation Model Construction Public Data Acquisition Public Data Acquisition Modelling Experimental Systems Biology
  3. 3. Sponsors and Motivation • BMBF “Großprojekt“ • ~45 organisations • ~70 groups • multiscale rep of the liver • multiscale data, models • imaging data • EU ERANet programme • 122 organisations • 16 multi-inst. consortia • independent projects in a two-round funding initiative
  4. 4. Funders • Preserve results beyond projects. • Organise & link data, models, processes. • Exchange & search initiative‘s assets. • Share & disseminate results • Improve standard curation practice. • Pool capacities. • Handle home-brewed solutions with mixed resourcing and no access
  5. 5. People • Dynamic distributed groups of experimentalists and modellers • Cherished own home-grown and unstable data solutions – wikis, CMS, databases, spreadsheets, files. • Access & visibility control over shared content
  6. 6. Content • Locally hosted private repositories • Public archives • From single-cell to human • Samples, Specimens, Standard Op Procedures • Small Data: Reactome…: files, spreadsheets • Big Data: NGS, Mass Spec…: Specialist repositories, files • Models: ODE, SBML, Native Matlab, PDE, Multi-scale • In progress: versioning, track provenance and parameters • Published: citation, links to publications
  7. 7. Cataloguing 7 Find my peers Creating and sharing SOPs across projects Track my specimens yellow pages, manage SOPs and link them to investigations, studies, assays, specimens and samples Browse experimental data without downloading them How data, models and SOPs fit together Which data belong to which publication Data viewing functionality ISA: Link Studies to their data, models, SOPs, samples, publications Track different versions of my model
  8. 8. The Web-based SEEK Platform Ruby on RAILS 3.2, BSD, https://bitbucket.org/seek4science/seek https://seek.sysmo-db.org/models/114 http://www.seek4science.org
  9. 9. Data Models Articles External Databases http://www.seek4science.org Metadata http://www.isatools.org Aggregated Asset Infrastructure…. share and interlinking multi-stewarded, mixed, methods, models, data, samples… A Commons….
  10. 10. simulate models project mgt, access control reporting, citation governance & policies yellow pages of peers projects, experts catalogue, link and index data, models, samples, specimens, sops, experiments, publications using standards curate & annotate data and models using standards with compliance tools incorporate public data and model repositories & tools deposition manage, store and exchange different types and scales of data Reproducibility Score Card integrate local and project tools and data systems scaled-out collection & analytics using third party platforms differentiate construction, validation & predicted data
  11. 11. Yellow Pages InstitutionsProjectsPeople ISA Investigation Study Assay Asset Catalogue Models Datafiles SOPs Publications TagsVersions Access Privileges PresentationsEvents Datafiles Models SOPs JERMExtract,Harvest,Index APIsandLinks BioModels CheBI BioPortal PubMed JWS Online GEO SABIO-RK Web Interface REST API Local SEEK Wikis CMS Own DB Direct Upload Project DM External SEEK OpenBIS
  12. 12. • Gateway plugin framework – Tight and loose coupling – RAILS plugin or bundled GEM • Metadata framework – JERM and ISA • Different instances – Single query across all model repositories – One click deposition BioModels Plug-in, Play nice, Don’t reinvent
  13. 13. Data…. • Public and new data • Factors studied – Linked -> SABIO-RK and ChEBI • Samples and Specimens – Extends EBI/NCBI BioSamples • Treatment Extraction • Tagging with vocabularies • Spreadsheet-based data-view • Big Data – Upload and by email, Share by trusted link, Link to external repository • Access – DOIs and Temp links for reviews
  14. 14. Cytoscape Repositories • Biomodels, JWS Online, local SEEK JWS Online Simulator • SBML support • Auto generation of SBGN schemas for user models • SED-ML export DataFuse • Link and compare construction and validation data with models • Run models with parameter values from spreadsheets Models….
  15. 15. Models Exchange Experiment Data Exchange Exchange Exchange Verification Comparison Just Enough Results Model ISA-TAB SBML MIRIAM SBGN SemanticSBML CellML Construction Prediction MIBBI Standards OBO Controlled Vocabularies SED-ML Simulation Experiment Description Markup Language Standard Formats and Vocabularies
  16. 16. Standards, Structure, Interlink Construction Validation Metabolomics Metabolomics Mass SpecTranscriptomics Proteomics Fluxomics Investigations Studies Assays Towards Interoperable Bioscience Data, Nature Genetics, 2012 Assays
  17. 17. Just Enough Results Model Describes and enriches the relationships between things produced and used in experiments. http://bioportal.bioontology.org/ontologies/JERM reuse community ontologies, markups, mim, identifiers
  18. 18. metadata sheets sample sheets data sheets indexes http://rightfield.org.uk/ Just Enough Results Model Describes and enriches the relationships between things produced and used in experiments. http://bioportal.bioontology.org/ontologies/JERM reuse community ontologies, markups, mim, identifiers
  19. 19. Different types of data Plugins to registered data repositories Extract and auto- catalogue metadata Define relationships, cross-link, aggregate, query standard based templates non-standard templates Open Modelling Exchange Format archive
  20. 20. Sys Bio Research Objects portable packaged research Adobe UCF Research Object Bundle ORE PROVODF • Aggregation • Annotations/provenance • Ad-hoc domain-specific specification OMEX archive Systems Biology: A common archive format for reuse across tools http://www.researchobject.org
  21. 21. Reproducible (Open?) Research Data sharing, openness and careers incentive See Titus and Phil talks
  22. 22. Open Research: Research Groups & Lifecycles • Sharing policy • Visibility, Downloadability • Fine grained permissions • Protocols for – Management transfer – Visibility feedback and sharing workflows – Publication data deposition in external public stores – Batch publishing Within Project Versions Retractions Across Projects Versions Public Final version No Retraction Manager Owner Gatekeeper
  23. 23. Open Source Customisable Platform https://bitbucket.org/seek4science/seek Vrije Universiteit, Amsterdam Systems Science for Health (SSfH) MACS Yeast Glycolysis
  24. 24. Open Source Customisable Platform https://bitbucket.org/seek4science/seek
  25. 25. Open Facility for European Systems Biology data & model management seeded by EU programmes • Platform – SEEK + openBIS + new features & styling • Resource – EuroSEEK + pool of community resources (including established SEEKs). – Independent researchers. Secure data. • Facility – Curation & support services, training http://fair-dom.org/
  26. 26. Open Facility for European Systems Biology data & model management seeded by EU programmes • Community – workshops, user and developer forums, knowledge network, standards & policy, training, FAIRDOM Foundation, Model Carpentry. • Sys Bio Developers Foundry workshop 6-7 October Heidelberg http://fair-dom.org/wiki/Foundry_workshop • RI – working with other EU RIs, an EU network of national facilities, funding models. http://fair-dom.org/
  27. 27. Carole Goble Stuart Owen Jacky Snoep Wolfgang Mueller Olga Krebs Quyen Nguyen Natalie Stanfor d Katy WolstencrofPeter Kunszt Bernd Rinn also contributing VLN SEEK team also contributing UK SEEK team

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