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Re: [Myexperiment-discuss] Upload any type of Workflow you want...


From: Rajarshi Guha
Subject: Re: [Myexperiment-discuss] Upload any type of Workflow you want...
Date: Wed, 5 Nov 2008 10:37:29 -0500

I've been observing the RDF discussion from the sidelines. For the query given below:

 "what are the compounds that have a solubility of 2-3 molar
in methanol?"

why would one prefer RDF over SQL?

On Nov 5, 2008, at 10:27 AM, Jean-Claude Bradley wrote:

Danius - thanks!  That's really cool -and the correct answer :)

It looks like maybe with a few tweaks we could use RDF as a database
Are there "user friendly" interfaces out there to run queries? Or maybe someone can write an interface that does something simple like what is the solubility of -dropdown menu of solutes- in - dropdown menu of solvents- A big obstacle for getting people (at least the people I talk to) to use RDF is it is hard to show a concrete example of a use. You've convinced me with this example but to convince my friends a little dropdown interface to play with would seal the deal I think.

Jean-Claude

On Tue, Nov 4, 2008 at 12:07 PM, Danius Michaelides <address@hidden> wrote:
On Fri, 31 Oct 2008, Jean-Claude Bradley wrote:

Jeremy - Pierre has converted our solubility measurements to RDF triples - does that make it easier to use Taverna workflows and myExperiment to ask questions like - "what are the compounds that have a solubility of 2-3 molar
in methanol?"
http://usefulchem.blogspot.com/2008/10/rdf-triples-for-open- notebook-science.html


To check the RDF out, I loaded it into Jena and used SPARQL to answer
your question:

PREFIX chem: <http://usefulchem.blogspot.com/ontology/>
PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
SELECT ?compound
WHERE { ?r rdf:type chem:Result .
 ?r chem:solute ?compound .
 ?r chem:solvent <compound:methanol> .
 ?r chem:concentration ?conc .
 FILTER ((?conc >= 2) && (?conc <=3))
}

Which gave:
-------------------------
| compound              |
=========================
| <compound:o_vanillin> |
-------------------------

I did, however, have to change the rdf:datatype="chem:Molar" to
 rdf:datatype="&xsd;decimal"
(together with the entity definition for xsd) inorder to get the filtering
to work, as "chem:Molar" isnt correct syntax.

Danius



On Fri, Oct 31, 2008 at 12:17 PM, Frey J.G. <address@hidden> wrote:

We are thinking this way but not perhaps leaving it up to the user in that
we will try and make the links automated.  But this keeps plans and
instances separated as they are different types of 'thing' but ones which
should be closely linked.
Jeremy



On 31/10/2008 15:55, "Jean-Claude Bradley" <address@hidden>
wrote:

Jeremy - so basically the recording of the instances are separate from
myExperiment and up to the user - and this will always be the case?

Jean-Claude

On Thu, Oct 30, 2008 at 6:25 PM, Frey J.G. <address@hidden> wrote: In our idea of MyExperiment meets the Blog, the plans/protocols are made
available via MyExperiment but the results of applying them are
stored/shared via the Blog & ELN systems, all of course cross-linked
Jeremy


On 30/10/2008 21:10, "Jean-Claude Bradley" <address@hidden>
wrote:

Dave - is there a way to store instances of the execution of a protocol? For example this is an instance of a general protocol that was repeated
with different chemicals and times
http://usefulchem.wikispaces.com/RESULT0001

On Mon, Oct 27, 2008 at 7:12 PM, David De Roure <address@hidden>
wrote:
Hi Giovanni

You can share anything - Makefiles, matlab scripts, R scripts, whatever. One of the things that makes myExperiment a "virtual research environment"
rather than a social networking site is that it has support for the
particular research objects that people are using - we've focused on
workflows and experiment plans just now. So at present there's no special support for makefiles (eg how to visualise them, search them, tag them or execute them), though in fact this is something the team has discussed as we have long recognised the relationship between makefiles and workflows. If there is a demand for makefile support we would be pleased to work with
people to develop this.

Thanks

-- Dave

-----Original Message-----
From: Giovanni Marco Dall'Olio [mailto:address@hidden
Sent: 27 October 2008 22:58
To: David De Roure
Cc: myexperiment
Subject: Re: [Myexperiment-discuss] Upload any type of Workflow you want...

On Thu, Oct 23, 2008 at 12:39 AM, David De Roure <address@hidden>
wrote:
The myExperiment team is very pleased to announce that myExperiment can
now
store any type of workflow, not just Taverna ones. This means that you
can
upload any file as a workflow which can then be shared, discovered,
downloaded, tagged, rated, commented on, added to packs and so on.

great :)

If you would like to get involved in providing extended support for other types of workflows then please contact us. We are keen to work with you
in
getting myExperiment to support as many other workflows types as
possible.

sorry if this question has already been asked... does myExperiment
support makefiles or automated builds-like systems?




Thanks again for all your support!



The myExperiment Team



http://www.myexperiment.org/announcements/20

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My Blog on Bioinformatics (italian): http://bioinfoblog.it

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--
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University

http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://usefulchem.blogspot.com





--
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University

http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://usefulchem.blogspot.com

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