[OTDev] RDF as a common exchange format for OpenTox ?

Poroikov V.V. vladimir.poroikov at ibmc.msk.ru
Fri Oct 2 13:54:50 CEST 2009


Thank you for the explanation. There is also another RDF:

About RDF data:
MDL's RDF format is a loosely documented format, and is used for many 
purposes, primarily for storing reactions and for storing hierarchical data 
to file. See the CTFile formats documentation for more details about the RDF 
format. Typically RDF files are generated by exporting data from an 
ISIS/Host database using a Hview which converts the relational data to a 
hierarchical representation. When importing into IJC we need to reverse this 
process, but the problem is that much of the information about the 
relationships between the different data fields has been lost when 
converting to a hierarchical representation. For instance, it is not 
possible to tell whether a relationship between two fields is one-to-many or 
many-to-many. Therefore to be able to successfully import a RDF file you 
need to have a good understanding of the data it contains before you start.

Another important feature of RDF files is that in addition to the main 
structure present at the root of the hierarchy, the format also allows 
structures to be present as data fields (e.g. as properties of the main 
structure. An example could be a set of conformers of the main structure). 
This makes the RDF files difficult to interpret when reading them as text.

Vladimir

----- Original Message ----- 
From: "chung" <chvng at mail.ntua.gr>
To: "opentox development mailing list" <development at opentox.org>
Sent: Friday, October 02, 2009 3:40 PM
Subject: Re: [OTDev] RDF as a common exchange format for OpenTox ?


> Dear All,
> I found a tutorial for RDF at w3c:
> http://www.w3schools.com/rdf/default.asp which I think will be useful.
>
> Best regards,
> Pantelis
>
> On Fri, 2009-10-02 at 10:55 +0200, Egon Willighagen wrote:
>> On Fri, Oct 2, 2009 at 10:50 AM, Nina Jeliazkova <nina at acad.bg> wrote:
>> > I've found ChemAxiom [1] efforts quite interesting and wonder if they 
>> > are
>> > related to Bioclipse.  ChemAxiom has a notion for ChemicalSpecies and
>> > MolecularEntity as well as generic class for Property (with subclasses 
>> > to
>> > NamedProperty and e.g. MeltingPoint) , and I am trying to find out how 
>> > to
>> > map into OpenTox Compound/Feature resources.
>>
>> I am working with Nico and a few others to take ChemAxiom forward, and
>> I think OpenTox is a good place to use it too.
>>
>> Egon
>>
>
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