Joerg Kurt Wegner wrote:
> Egon, Nina,
>
> I might have missed many discussion, still here my 5cent on the dictionary
> ==http://www.opentox.org/algorithmTypes.owl#Generation3D==
> This is quite unspecific in which ways do you plan to cover the input or output parameters?
> Input: force field, solvation, starting geometry, stochastic/exhaustive method, and much more
> Output: single conformer, multiple conformers
>
> ==http://www.opentox.org/algorithmTypes.owl#PharmacophoreGeneration==
> Same here, which kind of pharmacophore and which output format/encoding? I assume each program uses different encodings and parameters, e.g. anchoring and/or reaction points.
>
>   
Right, this was a very initial draft and many things were left
unspecified, which are now causing incompatibilities in the initial
implementation.  Any suggestions are very much welcomed.

Best regards,
Nina
> Best regards, Joerg
>
>   
>>> Nina, I'd love to set up a dictionary of machine learning algorithms... let's continue on this.
>>>       
>> You are most welcome :) This is actually an urgent task we need to complete at the beginning of January latest.
>>     
>>>> An initial version of algorithm types ontology is available here
>>>> http://opentox.org/data/documents/development/RDF%20files/AlgorithmTypes/view
>>>>