Hi Barry, All,
	I would be interested in developing such an application. If OpenTox web
services implement what we called "Automatic REST documentation" it will
be easy to build a web interface for ANY OpenTox web service. This would
mean that whoever implements a new OpenTox-compliant web service and
registers it in the ontology service will be able to see it running
using the web interface. 

	In the beginning of OpenTox we had designed such an interface where the
user was prompted to choose their own parameters. 

	Optimization of model parameters is also a bet. AZOrange (developed by
AstraZeneca) implements a module for automatic tuning using empirical
criteria and exhaustive search [see for exampe Table 1 in
http://www.jcheminf.com/content/3/1/28 ]. The problem with this approach
is that it is quite time-consuming and it is a challenge to design and
implement gradient-based algorithms that perform faster.

	Let us know if there is some opportunity.

Best regards,
Pantelis

On Wed, 2011-10-26 at 11:07 +0200, Barry Hardy wrote:
> Two application needs based on OpenTox components that have surfaced:
> 
> a. an application allowing user choice on algorithm and parameters for 
> creating a validated model
> 
> b. an application/workflow supporting automated extensive 
> parameter/algorithm variation to produce an optimed model based on 
> user-supplied criteria
> 
> Let us know if you are interested!
> 
> Barry
> 
> Am 26.10.2011 10:58, schrieb Christoph Helma:
> > Starting a new thread from a semi-private conversation.
> >
> > On Wed, 26 Oct 2011 10:01:51 +0200, Barry Hardy<barry.hardy at douglasconnect.com>  wrote:
> >> I don't this is a good argument for ToxCreate. It might be for say
> >> "Christoph's lazar application" or a controlled "ToxReachModeller".
> >>
> >>   From the point of view of the ToxCreate Use Case, and OpenTox and a
> >> component-based design, in my opinion, the application should allow the
> >> user to select the algorithm.
> > ToxCreate should be a simple tool for novice users (without an
> > understanding of algorithms and parameters).  How can we expect that a
> > novice user makes an informed decision if even we (i.e.  the experts)
> > cannot provide better alternatives?
> >
> > Christoph
> >
> > PS We have been discussing a medium-level GUI with selection of
> > algorithms and parameters from the beginning, but I have always clearly
> > stated that we will not have the resources to implement that in
> > ToxCreate. Anyone who is interested can take our opento-ruby library and
> > wrap a GUI around it.
> >
> >
> 
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