Dear Christoph,

The new version just deployed should fix this issue. Could you please check

Best regards,
Nina

On 22 March 2011 20:21, Nina Jeliazkova <jeliazkova.nina at gmail.com> wrote:

> Dear Christoph,
>
> I agree comma separated InChI-s are not good idea and will fix this ASAP.
>
>
> Best regards,
> Nina
>
>
> On 22 March 2011 19:49, Christoph Helma <helma at in-silico.ch> wrote:
>
>> Dear Nina, Vedrin,
>>
>> I have started to write ToxCreate tests to integrate Ambit datasets and
>> ran across an issue with the Compound representation in Dataset
>> http://apps.ideaconsult.net:8080/ambit2/dataset/9 (might apply to other
>> datasets as well, but I did not check).
>>
>> If I ask for the InChI representation, I receive a comma separated list
>> of InChIs and not a single one. I would expect however a single InChI
>> per compound/conformer, because they are intended as unique identifiers
>> for chemical structures (and I need them for that purpose in our
>> services/libraries).
>>
>> Looking at examples (e.g.
>> http://apps.ideaconsult.net:8080/ambit2/compound/10286/conformer/410062)
>> suggests that you are providing separate InChIs for each InChI layer. I
>> would suggest to provide the most specific layer that is available for a
>> particular compound/conformer and leave it to the user to strip
>> unnecessary information.
>>
>> What do you think?
>>
>> Best regards,
>> Christoph
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>>
>
>