These web services provide access to methods for prediction of chemical sub-groups by means of user submitted mass spectra. Please send all feedback to hummel@mpimp-golm.mpg.de

The following operations are supported. For a formal definition, please review the Service Description.

• DrillThrough
  Returns all training spectra IDs passing an particular NodeID (i.e. '000000000020001') of a given Mining Model identified by the name MiningModelName (cf. decisiontree.aspx, i.e.'2009-02-03T165023_Fg_Alpha_Aminoacid_MDN35').
• GetMiningModelNodes
  This service returns all nodes constituting the decision tree used in a particular mining model. id reference the mining model.
• GetMiningModels
  This service returns a list of all available MiningModels for the classification/prediction with appropiate information regarding training set size and cross validation performance. This service is used to populate the GridView at the decisiontree.aspx page.
• PredictAll4AlkaneRiColumnTypeComposition
  Predicts the presense of a set of functional groups by the means of an retention index ri, an GC-EI mass spectrum spectrum and an ri system ColumnType ('none' or 'VAR5' or 'MDN35').
• PredictMany
  Predicts the presense of a set of functional groups by the means of an retention index based on the alkanes homolouges ri and an GC-EI mass spectrum spectrum and an collection (Array) of particular Mining Models (Decision Trees) MiningModelIds.
• PredictSingle
  Predicts the presense of a set of functional groups by the means of an retention index based on the alkanes homolouges ri and an GC-EI mass spectrum spectrum and an particular Mining Model (Decision Tree) MiningModelId.