toxtree.plugins.ames.rules

Class RuleDAMutagenicityABUnsaturatedAldehydes

java.lang.Object

java.util.Observable

toxTree.tree.AbstractRule

toxTree.qsar.LinearDiscriminantRule

toxtree.plugins.ames.rules.RuleDAMutagenicityABUnsaturatedAldehydes

All Implemented Interfaces:

Serializable, 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

Constructors

Constructor and Description
RuleDAMutagenicityABUnsaturatedAldehydes()

Method Summary

Modifier and Type	Method and Description
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()
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 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