Hi Christoph,

On Wed, Oct 28, 2009 at 1:51 PM, Christoph Helma <helma at in-silico.de> wrote:
>  # Examples:
>
>  # a calculated logP
>  <http://webservices.in-silico.ch/compound/InChI=1S/H4N2/c1-2/h1-2H2>  blueobelisk:xlogP -2.20 .

I am actively working on this ontology... the current structure is
actually slightly different from the above triple... but the idea is
like that.

>  # toxicological classification
>  <http://webservices.in-silico.ch/compound/InChI=1S/H4N2/c1-2/h1-2H2>  toxicity:multi_cell_call "active" .
>
>  # a class sensitive structural feature, calculated by an algorithm that does not yet exist in an established ontology
>  <http://webservices.in-silico.ch/compound/InChI=1S/H4N2/c1-2/h1-2H2>  algorithm:backbone_refinement_class  [ <#smarts> "N-N"; <#p_value> 0.9998; <#effect> "activating" ] .

This takes advantagous of the concept of anonymous classes.

> Advantages:
>
>  - We do not need a separate feature webservice (at least for for simple feature values and moderatly complex features, like the tuples in the BBRC example)
>  - We do not need necessarily a feature-ontology (or feature-definition) webservice, if we use, expand and combine existing ontologies

Reuse of ontologies is mostly recommended...

>  - It can help us to solve the problem of unique IDs, by using URIs
>  - Plays well with REST
>  - Established standard
>  - Facilitates queries/reasoning (especially useful for building GUIs)

- Can be embedded in HTML using RDFa.

> Possible disadvantages:
>
>  - Support in programming languages?

For Java at least it is not a problem.

Egon

-- 
Post-doc @ Uppsala University
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers