On 11 October 2010 19:51, Christoph Helma <helma at in-silico.ch> wrote:

> Excerpts from Nina Jeliazkova's message of Mon Oct 11 17:27:14 +0200 2010:
> > Christoph,
> >
> > Could you tell what kind of errors (parsing of SMILES ?) would you like
> to
> > store into metadata?  Is it possible to provide examples?
>
> It will be a mixed bag of SMILES errors, duplicated structures,
> incorrect activity entries, .... Examples can be found e.g. at
> http://toxcreate.org/models under "Warnings:  show".  Simple string
> annotation for concatenated error/warning messages could be sufficient.
>

Ah, ok - agree such information would be very useful.

What do you think about storing these somehow linked to the compounds ?  As
a start could be simple string annotation , but linked to the compounds and
not datasets.   Thus one should be able to point to the exact compound where
the error is.

Perhaps introduce "metadata" for compounds as well?


>
> > There is a proposal for errors representation
> > http://opentox.org/dev/apis/api-1.1/Error%20Reports , but the objective
> was
> > to report errors from processing services ( algorithms  and models) and I
> am
> > not quite sure it is applicable.
>
> Yes, this is a different story. During dataset parsing I try
> to parse as much information as possible and to present errors/warnings
> later.
>

We also store quite a number of different errors of structures in ambit
dataset services , would be good to have a common annotation/reporting
strategy.

Best regards,
Nina

>
> Best regards,
> Christoph
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