On 3 dec 2011, at 23.24, Villu Ruusmann wrote:
>
> Recently I did some research about QSAR model data formats and
> couldn't find anything major except Bioclipse's QSAR-ML data format
> (http://pele.farmbio.uu.se/qsar-ml/). Unfortunately, QSAR-ML appears
> to be limited to the representation of raw datasets (ie. chemical
> structures, property and descriptor values) and doesn't cover the rest
> of a typical QSAR modelling workflow.
Yes, this is true, QSAR-ML does not yet support sharing of models. However we
are looking into how the open standard OSGi can be used for this.
> QsarDB handles statistical models in the PMML data format. While
> Rajarshi suggested to use the Weka toolkit for loading and storing
> PMML models, our group decided to develop a new light-weight Java PMML
> library called JPMML (http://jpmml.googlecode.com) for this purpose.
> At the moment JPMML can do linear regression, decision tree and neural
> network models.
This is interesting, we investigated PMML a few years back but found it
somewhat heavy to work with. I will look into your JPMML project, perhaps it
could be useful for Bioclipse as well.
Regards,
/Ola
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