[OTDev] ToxCreate integration of Ambit classification datasets
Christoph Helma helma at in-silico.chWed Mar 23 14:06:23 CET 2011
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> On 23 March 2011 14:25, Christoph Helma <helma at in-silico.ch> wrote: > > > Nina, > > > > > > > > If you look at /dataset/9 RDF representation, there is ot:acceptValue > > in > > > RDF representation, which lists possible values for the feature. This was > > > agreed for API 1.1 and is in the opentox.owl , and is used by TUM/NTUA > > > services as far as I know. > > > > > > <http://apps.ideaconsult.net:8080/ambit2/feature/21573> > > > a ot:Feature , ot:NumericFeature , ot:NominalFeature ; > > > dc:creator " > > http://www.epa.gov/NCCT/dsstox/sdf_isscan_external.html" ; > > > dc:title "Canc" ; > > > ot:acceptValue "3.0" , "1.0" ; > > > ot:hasSource < > > > > > http://apps.ideaconsult.net:8080/ambit2/dataset/ISSCAN_v3a_1153_19Sept08.1222179139.sdf > > > > > > ; > > > ot:units "" ; > > > = otee:Carcinogenicity . > > > > > > I would suggest modifying your implementation to use ot:acceptValue, > > instead > > > of regexp. > > > > Oops, I forgot about this one. Is ot:acceptValue ordered, i.e. can I > > trust, that the first value indicates always true/active and the second > > one false/inactive? > > > > No, no guarantee on that - the order is arbitrary , and the values could be > more than two. I could easily enforce an alphabetical order , if this would > help. No need for that, I can do that internally. > > I guess you question is related to how the results are presented to the > user, otherwise for the classification method it should not matter - correct > ? Yes, it is mainly for presenting results to the user, although I prefer to have the correct (binary) assignments already in the model. > > If the concern is the user interface indeed, I think we should introduce > some additional property to represent some kind of toxicological meaning, > independent of ot:acceptValue. This will help user interface to show e.g. > green/red flags (or more colors). In the context of Bioclipse there was a > suggestion of ot:isToxic property, but it needs a bit more thinking to > handle the generic case of >2 classes. Presently I would be happy with ot:isToxic binary classifications. For multiple classes we might also have to distinguish between ordered (e.g. weak, moderate, strong) and unordered (e.g. "Carcinogen", "SkinSensitizer", ...) classes. Best regards, Christoph
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