chemCast.similarity.data
Class DescriptorSelection

java.lang.Object
  extended by chemCast.similarity.data.DescriptorSelection

public class DescriptorSelection
extends java.lang.Object


Constructor Summary
DescriptorSelection()
           
 
Method Summary
static Instances fingerprints2Instances(ChemCastDescriptorsList descriptors, java.lang.String classProperty, boolean fingerprints, Subsets subsets)
           
static boolean selectBestDescriptorsForDataset(AttributeEvaluator evaluator, ChemCastDescriptorsList descriptors, java.lang.String classProperty, Subsets subsets)
           
static boolean selectBestDescriptorsForDataset(ChemCastDescriptorsList descriptors, java.lang.String classProperty, Subsets subsets)
           
static boolean selectBestDescriptorsForSubsets(AttributeEvaluator evaluator, ChemCastDescriptorsList descriptors, boolean fingerprints, Subsets subsets)
          Selects descriptors that best discriminate the subsets.
static boolean selectBestDescriptorsForSubsets(ChemCastDescriptorsList descriptors, Subsets subsets)
           
 
Methods inherited from class java.lang.Object
equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Constructor Detail

DescriptorSelection

public DescriptorSelection()
Method Detail

selectBestDescriptorsForSubsets

public static boolean selectBestDescriptorsForSubsets(ChemCastDescriptorsList descriptors,
                                                      Subsets subsets)
                                               throws java.lang.Exception
Throws:
java.lang.Exception

selectBestDescriptorsForDataset

public static boolean selectBestDescriptorsForDataset(ChemCastDescriptorsList descriptors,
                                                      java.lang.String classProperty,
                                                      Subsets subsets)
                                               throws java.lang.Exception
Throws:
java.lang.Exception

selectBestDescriptorsForSubsets

public static boolean selectBestDescriptorsForSubsets(AttributeEvaluator evaluator,
                                                      ChemCastDescriptorsList descriptors,
                                                      boolean fingerprints,
                                                      Subsets subsets)
                                               throws java.lang.Exception
Selects descriptors that best discriminate the subsets. Only subsets and descriptors that enabled=true are included in the evaluation!

Parameters:
descriptors -
subsets -
Throws:
java.lang.Exception

selectBestDescriptorsForDataset

public static boolean selectBestDescriptorsForDataset(AttributeEvaluator evaluator,
                                                      ChemCastDescriptorsList descriptors,
                                                      java.lang.String classProperty,
                                                      Subsets subsets)
                                               throws java.lang.Exception
Throws:
java.lang.Exception

fingerprints2Instances

public static Instances fingerprints2Instances(ChemCastDescriptorsList descriptors,
                                               java.lang.String classProperty,
                                               boolean fingerprints,
                                               Subsets subsets)
                                        throws java.lang.Exception
Throws:
java.lang.Exception