toxtree.plugins.lewis
Class LewisTree

java.lang.Object
  extended by java.util.Observable
      extended by toxTree.tree.AbstractTree
          extended by toxTree.tree.UserDefinedTree
              extended by toxtree.plugins.lewis.LewisTree
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

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
static java.lang.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
LewisTree()
           
 
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
 

Field Detail

c_rules

public static final transient java.lang.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


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