toxtree.plugins.lewis

Class LewisTree

java.lang.Object

java.util.Observable

toxTree.tree.AbstractTree

toxTree.tree.UserDefinedTree

toxtree.plugins.lewis.LewisTree

All Implemented Interfaces:

ambit2.core.data.IObject2Properties<UserDefinedTree>, ambit2.core.data.IStructureDiagramDepiction<BufferedImage>, ambit2.core.data.IStructureDiagramHighlights, Serializable, Cloneable, Observer, net.idea.modbcum.i.processors.IProcessor<UserDefinedTree,List<ambit2.base.data.Property>>, org.openscience.cdk.qsar.IDescriptor, org.openscience.cdk.qsar.IMolecularDescriptor, IDecisionInteractive, IDecisionMethod, IDecisionMethodPrority, XMLSerializable

public class LewisTree
extends UserDefinedTree

derived by Weka from table2. data Lewis, "Human Cytochrome P450 Substrate Selectivity and characteristics"

vol <= 227.83  
|   vol <= 146.5: CYP2E1 (7.0/1.0)  ////rule low volume
|   vol > 146.5  //medium
|   |   a_d2 <= 2.244: CYP2A6 (7.0/2.0)
|   |   a_d2 > 2.244: CYP1A2 (7.0/1.0)
vol > 227.83  //rule high volume
|   logP <= 0.9: CYP2B6 (3.0)
|   logP > 0.9
|   |   pKa <= 7.97
|   |   |   vol <= 291.99: CYP2C (10.0/2.0)
|   |   |   vol > 291.99: CYP3A4 (3.0)
|   |   pKa > 7.97
|   |   |   a_d2 <= 1.735: CYP2D6 (5.0/1.0)
|   |   |   a_d2 > 1.735: CYP2B6 (6.0/4.0)

Author:

nina

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from interface toxTree.core.IDecisionInteractive

IDecisionInteractive.UserOptions

Field Summary

Fields

Modifier and Type	Field and Description
static String[]	c_rules

Fields inherited from class toxTree.tree.UserDefinedTree

editable, listener, nodesFactory, options

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

Constructor Summary

Constructors

Constructor and Description
LewisTree()

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.qsar.DescriptorSpecification	getSpecification()

Methods inherited from class toxTree.tree.UserDefinedTree

calculate, clone, close, createArrayResult, getBranch, getBranch, getCategory, getCategory, getDescriptorNames, getDescriptorResultType, getID, getInteractive, getListener, getNodesFactory, getOptions, getParameterNames, getParameters, getParameterType, getRule, hasUnreachableRules, hasUnusedCategories, initialise, initRules, isEditable, isEnabled, open, process, removeListener, setArrayValue, setEditable, setEnabled, 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

Field Detail

c_rules

public static final transient String[] c_rules

Constructor Detail

LewisTree

public LewisTree()

Method Detail

getSpecification

public org.openscience.cdk.qsar.DescriptorSpecification getSpecification()

Specified by:

getSpecification in interface org.openscience.cdk.qsar.IDescriptor

Overrides:

getSpecification in class UserDefinedTree