verhaar
Class VerhaarScheme
java.lang.Object
java.util.Observable
toxTree.tree.AbstractTree
toxTree.tree.UserDefinedTree
verhaar.VerhaarScheme
- All Implemented Interfaces:
- ambit2.core.data.IStructureDiagramHighlights, java.io.Serializable, java.lang.Cloneable, java.util.Observer, org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor, IDecisionInteractive, IDecisionMethod, IDecisionMethodPrority, XMLSerializable
- Direct Known Subclasses:
- VerhaarScheme2
public class VerhaarScheme
- extends UserDefinedTree
An implementaton of Verhaar scheme for predicting toxicity mode of action.
- Verhaar HJM, van Leeuwen CJ and Hermens JLM (1992) Classifying environmental pollutants. 1. Structure-activity relationships for prediction of aquatic toxicity. Chemosphere 25, 471-491.
- Verhaar HJM, Mulder W and Hermens JLM (1995) QSARs for ecotoxicity. In: Overview of structure-activity relationships for environmental endpoints, Part 1: General outline and procedure. Hermens JLM (Ed), Report prepared within the framework of the project "QSAR for Prediction of Fate and Effects of Chemicals in the Environment", an international project of the Environment; Technologies RTD Programme (DGXII/D-1) of the Europenan Commission under contract number EV5V-CT92-0211.
- Verhaar HJM, Solbe J, Speksnijder J, van Leeuwen CJ and Hermens JLM (2000) Classifying environmental pollutants: Part 3. External validation of the classification system. Chemosphere 40, 875-883.
Rules:
- LogP limits
- structural rules
- implementation in
verhaar.rules
package
Categories:
- Author:
- Nina Jeliazkova Modified 2005-8-14
- See Also:
- Serialized Form
Fields inherited from class toxTree.tree.AbstractTree |
categories, changes, explanation, falseIfRuleNotImplemented, imageSize, logger, modified, name, priority, rules, treeRoot, web |
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 |
Method Summary |
org.openscience.cdk.qsar.DescriptorSpecification |
getSpecification()
|
Methods inherited from class toxTree.tree.UserDefinedTree |
calculate, clone, createArrayResult, getBranch, getBranch, getCategory, getCategory, getDescriptorNames, getDescriptorResultType, getInteractive, getListener, getNodesFactory, getOptions, getParameterNames, getParameters, getParameterType, getRule, hasUnreachableRules, hasUnusedCategories, initRules, isEditable, removeListener, setArrayValue, setEditable, setInteractive, setListener, setNodesFactory, setOptions, setParameters, setParameters, setTransitions, toString, verifyRules, visitCategories, visitRules |
Methods inherited from class toxTree.tree.AbstractTree |
addDecisionRule, addPropertyChangeListener, classify, clearChanged, createDecisionResult, equals, explainRules, fromXML, getCategories, getEditor, getExplanation, getImage, getImage, getImageSize, getLegend, getNumberOfClasses, getNumberOfRules, getPriority, getRule, getRules, getTitle, getTopRule, isFalseIfRuleNotImplemented, isModified, isWeb, optionsPanel, printResults, printToStream, removePropertyChangeListener, retrieveExplanation, setCategories, setChanged, setDecisionRule, setExplanation, setFalseIfRuleNotImplemented, setImageSize, setModified, setPriority, setRules, setRules, setTitle, setWeb, testRulesWithSelector, toShallowXML, toXML, update, verifyResidues, verifyRules, walkRules, walkRules |
Methods inherited from class java.util.Observable |
addObserver, countObservers, deleteObserver, deleteObservers, hasChanged, notifyObservers, notifyObservers |
Methods inherited from class java.lang.Object |
finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait |
c_rules_reversed
public static final transient java.lang.String[] c_rules_reversed
c_rules_normal
public static final transient java.lang.String[] c_rules_normal
c_categories
protected static final java.lang.String[] c_categories
VerhaarScheme
public VerhaarScheme()
throws DecisionMethodException
- Throws:
DecisionMethodException
VerhaarScheme
public VerhaarScheme(boolean reversed)
throws DecisionMethodException
- Throws:
DecisionMethodException
getSpecification
public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()
- Specified by:
getSpecification
in interface org.openscience.cdk.qsar.IDescriptor
- Overrides:
getSpecification
in class UserDefinedTree
Copyright © 2004-2012 Ideaconsult Ltd.. All Rights Reserved.