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.

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