[OTDev] Applicability domain API proposal

Christoph Helma helma at in-silico.de
Sat Mar 20 15:08:42 CET 2010


Excerpts from Nina Jeliazkova's message of Wed Mar 17 10:13:55 +0100 2010:
> Hello All,
> 
> Here is an initial page for applicability domain and an API proposal,
> based on a discussion with Pantelis (NTUA).
> 
> http://opentox.org/dev/apis/api-1.1/ApplicabilityDomain
> 
> Something to discuss next Monday perhaps.

Looks good at a first glance - will try it out with one of the next
updates. Models that use an external AD algorithm would have to
"recommend" an AD algorithm - maybe this information should be added to
the model representation.

Martin: Do you think that the proposal is useful/sufficient for the
validation service - it is IMHO crucial to validate AD models (i.e.
prove that predictions within (close to) AD are more accurate than
predictions out of (far from) the AD).

Best regards,
Christoph



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