mutant.rules
Class RuleDAMutagenicityABUnsaturatedAldehydes

java.lang.Object
  extended by java.util.Observable
      extended by toxTree.tree.AbstractRule
          extended by toxTree.qsar.LinearDiscriminantRule
              extended by mutant.rules.RuleDAMutagenicityABUnsaturatedAldehydes
All Implemented Interfaces:
java.io.Serializable, java.lang.Cloneable, IDecisionRule, IDescriptorBased, IImplementationDetails, XMLSerializable

public class RuleDAMutagenicityABUnsaturatedAldehydes
extends LinearDiscriminantRule

Returns true if structure is predicted as mutagen , based on linear discriminant analysis over descriptors MR, LogP, LUMO.

Author:
nina
See Also:
Serialized Form

Field Summary
 
Fields inherited from class toxTree.qsar.LinearDiscriminantRule
dictionary, model, threshold
 
Fields inherited from class toxTree.tree.AbstractRule
changes, editable, ERR_STRUCTURENOTPREPROCESSED, examples, explanation, id, logger, MSG_NO, MSG_YES, no, residueIDHidden, title
 
Fields inherited from interface toxTree.core.XMLSerializable
xmltag_CATEGORIES, xmltag_CATEGORY, xmltag_CATEGORYTHRESHOLD, xmltag_CLASS, xmltag_EXPLANATION, xmltag_ID, xmltag_METHOD, xmltag_METHODPARAMETER, xmltag_METHODS, xmltag_NAME, xmltag_RULE, xmltag_RULEEXAMPLE, xmltag_RULES, xmltag_TREEROOT
 
Constructor Summary
RuleDAMutagenicityABUnsaturatedAldehydes()
           
 
Method Summary
protected  boolean compare(double value, double threshold)
          Classified as mutagens if lower than the threshold
protected  DRuleException createException(ambit2.base.exceptions.QSARModelException x)
           
static LinearQSARModel createMutagenicityofAldehydesModel()
           
 java.lang.String getImplementationDetails()
           
 
Methods inherited from class toxTree.qsar.LinearDiscriminantRule
getModel, getSelector, getThreshold, hint, isCalculated, isImplemented, setCalculated, setModel, setThreshold, verifyRule
 
Methods inherited from class toxTree.tree.AbstractRule
addPropertyChangeListener, clearFlags, clone, createRule, equals, fromXML, getEditor, getExampleMolecule, getExamples, getExplanation, getID, getNum, getTitle, hideResiduesID, isEditable, isResidueIDHidden, log, log, log, makeMolecule, removePropertyChangeListener, setEditable, setExampleMolecule, setExamples, setExplanation, setID, setNum, setTitle, toShallowXML, toString, toXML
 
Methods inherited from class java.util.Observable
addObserver, clearChanged, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers, setChanged
 
Methods inherited from class java.lang.Object
finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Constructor Detail

RuleDAMutagenicityABUnsaturatedAldehydes

public RuleDAMutagenicityABUnsaturatedAldehydes()
Method Detail

createMutagenicityofAldehydesModel

public static LinearQSARModel createMutagenicityofAldehydesModel()

compare

protected boolean compare(double value,
                          double threshold)
Classified as mutagens if lower than the threshold

Overrides:
compare in class LinearDiscriminantRule

getImplementationDetails

public java.lang.String getImplementationDetails()
Specified by:
getImplementationDetails in interface IImplementationDetails
Overrides:
getImplementationDetails in class LinearDiscriminantRule

createException

protected DRuleException createException(ambit2.base.exceptions.QSARModelException x)
Specified by:
createException in class LinearDiscriminantRule


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