[OTDev] Errors and warnings in datasets

Christoph Helma helma at in-silico.ch
Mon Oct 11 18:51:21 CEST 2010


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.

> 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. 

Best regards,
Christoph



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