[OTDev] Uploading non-standard datasets

surajit ray mr.surajit.ray at gmail.com
Wed Sep 29 18:54:10 CEST 2010


Thanks ... will be looking forward to your tutorial

Regards
Surajit

On 29 September 2010 14:07, Tobias Girschick <tobias.girschick at in.tum.de> wrote:
> Hi Pantelis, Surajit,
>
> you should take a look again at the following graphical overview of OT
> components:
> http://www.opentox.org/dev/apis/api-1.2/OpentToxResources/view
>
> Note that a feature does not have to be coupled explicitly to a dataset,
> as Pantelis already said. In practice however it will be most of the
> time. The coupling of features - compounds - datasets is done with the
> DataEntry. You can in fact (we are doing this to create prediction
> features in model building) POST a new Feature without a dataset.
> HasSource in this case points to the algorithm that created the feature.
>
> Furthermore, a feature doesn't have to be coupled to a compound. Only
> the values the feature takes.
>
>> To be clear lets consider an example of a Dataset X having 20
>> compounds. I create a feature which will be assigned to Dataset X
>> (that is Dataset X will have a property which is this feature).
>
> Are you talking about features (e.g. substructural features) that are
> dependent on the dataset? So the dataset can be considered a parameter
> of the feature generation [descriptor calculation] algorithm? In this
> case the service will be very similar to our FTM service. I am a
> tutorial/documentation document which will be ready by tomorrow, I
> guess. This document should make it easier for you.
>
>
> best regards,
> Tobias
> --
> Dipl.-Bioinf. Tobias Girschick
>
> Technische Universität München
> Institut für Informatik
> Lehrstuhl I12 - Bioinformatik
> Bolzmannstr. 3
> 85748 Garching b. München, Germany
>
> Room: MI 01.09.042
> Phone: +49 (89) 289-18002
> Email: tobias.girschick at in.tum.de
> Web: http://wwwkramer.in.tum.de/girschick
>
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