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Use Cases: Charting BioPAX Pathways

The Pathway Toolkit is an open, web-based network of scriptable Java web apps that can display and manipulate XHTML CHARTSof metadata on pathway models, cast into a context of related models in RAM that each each user can customize as desired

The toolkit network is deployed as two similar web apps working under the client-server design pattern.  The first is semi-public; the second private to one user:
  • HTTP web site: a Pathway Warehouse Section
Each server instance is a web repository for files its sponsor wants to share with people working locally or at related labs.  It indexes available resources, including BioPAX pathway models, bridge ontologies, and shared scripts for data I/O and processing.

Each client is similar but runs locally on one PC, customized as the private agent for one end user.  It can interact with ALL available Warehouse sections to obtain or post copies of resources, then use or perturb them further for specific R&D purposes:
  • WAR file download: Personal Pathway Toolkit
For a reasonable license fee, any subscribing biomed group can put a Warehouse Section on their intranet or the public Internet, then download Personal versions to their staff, who gets access to all source code.  An industrial group should subscribe by contributing cash to offset server hosting and toolkit R&D costs.  Academics may optionally subscribe to a Personal version by devoting worktime to BioPAX-support projects.
 


The Pathway Toolkit is built on top of the Lexikos WORDS modeler, a ontology editor for Topic Maps and NLP lexicons, with a range of general use cases.  Specializations of this baseline code for pathway vocabulary includes the BioPAX ontology itself, a collection of shared modeling and data import/export tools, plus a community-wide library of shared scripts for easily exploiting them.

Additional open source or custom tools can be separately contributed by memebers of the community, optionally made scriptable via extensions to the toolkit command language.
Other BioPAX-specific use cases are below.  Most support Warehouse sections, which often will be focused on modeling a particular research context:.

1. Data Provenance

One context (chart set) would portray the PRL as a browseable semantic net giving info on Suppliers and Pathway data bases.  It would take periodic uploads from today's PRL data base, and it would track and report recent changes as "news" to the BioPAX community.

2. MetaModels

The toolkit optionally supports centralized indexing and search cycles for every Self-Annotating Identifier whose triples get loaded into a context.  This works with Data Provenance tools to show who supplied what parts of what models, and who else in the community or its contributors has published similar triples.

A base of Ontology Design Patterns supports the search tools above.  By encouraging standard graph structures for all of the important types of pathway elements, the BioPAX ontology itself plays a key role in letting conformant data be easily found, used and combined for any researchdomains that a given context may require. 

3. Visualization

A context can be built for any BioPAX pathways of interest, mixed with other ontologies, then selectively viewed as pathway Charts under XSLT custom to each context.  Final views will often be in HTML, optionally enhanced by custom CSS, Ajax.and or images

Typical near-term results may lack the elegance of high-end graphics like BioCyc, but our flexible charting approach does have unique advantages
  • It offers ANY new view your context needs:  XML, CSV, Lisp, Java graphics, etc
  • It works even WHILE your contextual models are still actively evolving
  • It thus may let you better visualize recent or needed changes to a context
Such approaches work both on single models and result sets from metamodel queries, so  output page sets that resemble OwlDoc, yet eailsy evolve, will be common.  Our design goal is to let each Pathway Toolkit be almost as easy to customize and edit as a wiki.

4. Converting Content into BioPAX

Our toolkit lets example triples be incrementally posted by suppliers, reviewed under uses cases 1-3, and aggregated with similar data well before any bulk mapping is made to BioPAX exchange format.  The step-by-step process we advocate and support is simple, and it works for any data base - able to extract and (lightly) validate all relevant triples.

The Late 2005 Proposal at BioPAX should quickly lead to statements of new triples that may be relevant, but triples for 2.0 can already be input.  Suppliers who wish can export their data initially to the intermediate format of CSV files, pending a later conversion by central BioPAX web utilities.  Check with us first on requirements,

Benefit #1:  Data suppliers save time and money by avoiding the need to learn exchange format details, and sharing central conversion and reformatting tools.  The might cut work for early toolkit users by 3-4:1; and for later users by 10:1

Benefit #2:  Because suppliers work easier and faster, data consumers more quickly get a large base of BioPAX pathway data in CVS format they can use initially, plus the new tools below to help them exploit metadata formats where inferencing is actively supported

5. Import/Export Format Conversions

As toolkit funding becomes available, we can expand its utility input forms to convert posted triples or CSV files directly into BioPAX 2.x data exchange files, fully validated, and save them within a repository.  Other import formats can then be supported.

Initial export formats planned include standard BioPAX RDF, but also ISO-standard Topic Map files.  Search, Visualization and change tracking toolkit powers can them be applied to any imported file.  Other export formats can then be added as convenient.

Benefit #1: Multiple Import formats, making it easier to merge metadata across paradigms.  Today we can handle (in early stages at least), RDF, XTM,  LTM, CVS, and WORDS scripts, a form of script specific to our toolkit that closely resembles Turtle.

Benefit #2: Multiple future export formats of OWL-validated models make BioPAX more widely useful, and easier to integrate with software designed around other standards, paradigms or languages, including CellML, Jesse, Prolog, Lisp, KIF, etc...

6. Integrated Pathway Modeler

A scriptable Pathway Toolkit, in eitrher of the above forms, can interact not only with others like it across the web, but with lab tools, ontologies, reasoners and data bases available only locally.  All of these custom local features must integrate at some level with pathway models.  This need leads directly to our Release Tools proposal

Such powers can greatly enhance the utility of a Pathway Warehouse, by arranging (with scripts) for pathway models that arise after their details are contextually perturbed.  This typically will occur when edit scripts modify the loaded models of typical BioPAX pathways, to carefully emulate the incremental changes expected from some specific disease, drug, mutation, lab test, etc, then logically query the predicted contextual results.
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Big Benefit #1:   A Life Scientist can first tap use cases 1-5 to select, merge, configure and incrementally adjust a specific pathway variation to be explored - then download and use its validated export semi-normally, enabling easy contrasts with standard-model results.
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Big Benefit #2:  Such a process can support any other off-line tools or processing models making sense to local Scientists.  Mutated BioPAX pathway models can be tested in ways that limit variations systematically to all and only those of actual local interest.


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© Lexikos Corporation 2006
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Email: Dan@Lexikos.com