1 / 31

Less is More

Less is More. Lightweight Ontologies and User Interfaces for Smart Labs. J. G. Frey, G. V. Hughes, H. R. Mills, m. c. schraefel, G. M. Smith, David De Roure Comb e Chem Project Electronics and Computer Science / School of Chemistry University of Southampton. Comb e chem Aims.

eugeneallen
Download Presentation

Less is More

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Less is More Lightweight Ontologies and User Interfaces for Smart Labs J. G. Frey, G. V. Hughes, H. R. Mills, m. c. schraefel, G. M. Smith, David De Roure CombeChem Project Electronics and Computer Science / School of Chemistry University of Southampton

  2. Combechem Aims • Support end-to-end collection & sharing of data and metadata for chemistry experiments. • Publish@Source • Accessible (online) publication of results • Make data and records available • Accessible to humans and computers

  3. The Chemistry Experiment • Plan • Perform • Ponder • Publish

  4. Planner • Experiment planning tool: • Basic metadata (short description, etc.) • Ingredients • Planned quantities • Processes • Based on COSHH form • Simple web application in PHP

  5. COSHH

  6. critical data entry

  7. A digital lab book replacement that chemists were able to use, and liked.

  8. Planner Bench Weights & Measures Compute services Services Services Services Services Services Architecture Viewing Tools Sem. Web Apps RDF over SOAP Semantic Data Results Data

  9. getRecord()

  10. getObservation()

  11. Design discussion • Handling RDF both ends – tricky • Structure to data: • good: clients can add what they want • Ontology extensions: Uncertainty to measurements • bad: clients can add what they want • Is the structure you’re given navigable in the way you expect?

  12. Design Discussion • We have an ontology (shared understanding) • But... experiment structure is a higher-level entity • Must be created and maintained by good programming, not simply by adherence to rules of the ontology

  13. Current & Future Work • Publish@Source • Generating an experiment report for publication • “Natural” language generation considered, but rejected by chemists • Standard language for papers is dense, cryptic, and frequently unhelpful

  14. Culture change • Different methods of publication • On-line • Electronic data sent to print journals for peer review and publication • Different form for procedure description

  15. Summary • System to support end-to-end capture of experimental work in chemistry • Light-weight in-lab systems • Desktop

  16. Credits & More Information • Jeremy Frey, David De Roure, Gareth Hughes, Hugo Mills, monica schraefel, Graham Smith. • www.combechem.org • www.smarttea.org

  17. Process record notation • Analyse a real experiment • What information do chemists record? • What should they record? • What do they want to record? • How does this differ from their experiment plan? • Evolved our own graph of plan and record

  18. Increasing detail Information collection Measurements Processes Annotations Process record Service invocations Secure time-stamps etc… Provenance record

  19. Increasing detail Data model Intended actions: guide to chemist, or [later] workflow Plan Measurements Processes Annotations Process record Service invocations Secure time-stamps etc… Provenance record

More Related