Uses of Interface
toxTree.core.IRuleSubstructures

Packages that use IRuleSubstructures
mic.rules   
mutant.rules   
sicret.rules The package contains implementations of IDecisionRule rules for SicretRules decision tree. 
toxtree.plugins.kroes.rules   
toxTree.tree.cramer Class CramerRules is the implementation of Cramer rules [Cramer et al,78]. 
toxTree.tree.rules The package contains several generic implementations of IDecisionRule rules 
toxtree.ui.tree.rules   
verhaar.rules The package contains implementations of IDecisionRule rules for VerhaarScheme decision tree. 
verhaar.rules.helper   
 

Uses of IRuleSubstructures in mic.rules
 

Classes in mic.rules that implement IRuleSubstructures
 class SA26
          Aromatic ring N-oxide.
 

Uses of IRuleSubstructures in mutant.rules
 

Classes in mutant.rules that implement IRuleSubstructures
 class SA20_nogen
           
 

Uses of IRuleSubstructures in sicret.rules
 

Classes in sicret.rules that implement IRuleSubstructures
 class RuleAcidAnhydrides
          Acid anhydrides.
 class RuleAcrylicAcids
          Acrylic acids.
 class RuleAromaticAmines
          Aromatic Amines.
SMARTS pattern [NX3,NX4+;!$([N]~[!#6]);!$([N]*~[#7,#8,#15,#16])]
 class RuleC10_C20AliphaticAlcohols
          C10-C20 Aliphatic Alcohols.
SMARTS pattern [AR0][OH]
 class RuleCarbamoylHalide
          Carbamoyl Halide.
 class RuleCatecholsResorcinolsHydroquinones
          Catechols, Resorcinols Hydroquinones.
 class RuleDi_Tri_Nitrobenzenes
          Di & Tri-Nitrobenzenes.
 class RuleHalonitrobenzene
          Halonitrobenzene.
 class RuleOandPQuinones
          O and P Quinones.
Substructures O=C1C=CC=CC1(=O) O=C1C=CC(=O)C=C1
 class RuleQuaternaryOrganicAmmoniumAndPhosphoniumSalts
          Rule Quaternary Organic Ammonium And Phosphonium Salts
 class RuleTriAndTetraHalogenatedBenzenes
          Tri And Tetra Halogenated Benzenes.
Substructure ClC1=CC(Cl)C(Cl)C(Cl)C1 ClC1C=CC(Cl)C(Cl)C1(Cl) ClC1C=CCC(Cl)C1(Cl)
 

Uses of IRuleSubstructures in toxtree.plugins.kroes.rules
 

Classes in toxtree.plugins.kroes.rules that implement IRuleSubstructures
 class RuleKroesFig1Q1
          TODO refactor with SMARTS
 

Uses of IRuleSubstructures in toxTree.tree.cramer
 

Classes in toxTree.tree.cramer that implement IRuleSubstructures
 class Rule32
          Rule 32 of the Cramer scheme (see CramerRules)
 class RuleAcyclicAcetalEsterOfQ30
          Rule 31 of the Cramer scheme (see CramerRules)
 class RuleAliphaticWithSomeFuncGroups
          Rule 20 of the Cramer scheme (see CramerRules)
 class RuleCyclopropaneEtc
          Rule 25 of the Cramer scheme (see CramerRules)
 class RuleHasOnlySaltSulphonateSulphate
          Rule 4 of the Cramer scheme (see CramerRules)
 class RuleHeterocyclicComplexSubstituents
          Rule 11 of the Cramer scheme (see CramerRules)
 class RuleLactoneOrCyclicDiester
          Rule 8 of the Cramer scheme (see CramerRules)
 class RuleLactonesFusedOrUnsaturated
          Rule 9 of the Cramer scheme (see CramerRules)
 class RuleMonocarbocyclic
          Rule 24 of the Cramer scheme (see CramerRules)
 class RuleMonocycloalkanoneEtc
          Rule 26 of the Cramer scheme (see CramerRules)
 class RuleOnlyFuncGroupsQ30
          Rule 32 of the Cramer scheme (see CramerRules)
 class RuleRingComplexSubstituents30
          Rule 30 of the Cramer scheme (see CramerRules)
 class RuleSimplyBranchedAliphaticHydrocarbon
          Implementation of Cramer rule No.5 Simply branched aliphatic or a common carbohydrate A descendant of RuleCarbohydrate
 class RuleSomeBenzeneDerivatives
          Rule 6 of the Cramer scheme (see CramerRules)
 

Uses of IRuleSubstructures in toxTree.tree.rules
 

Classes in toxTree.tree.rules that implement IRuleSubstructures
 class RuleAllSubstructures
          Verifies if all of the fragments are a substructure of moleclue
 class RuleAnySubstructure
          Verifies if the molecule has at least one substructure of the list
 class RuleCarbohydrate
          Verifies if the molecule is a carbohydrate
 class RuleOnlyAllowedSubstructures
          Verifies if the structure contains only allowed substructures
 class RuleRingAllowedSubstituents
          A rule to analyze ring substituents
 class RuleRingOtherThanAllowedSubstituents
          A rule to analyze ring substituents
 class RuleRings
           
 class RuleRingSubstituents
          A rule to analyze ring substituents
 class RuleSubstructures
          An abstract class to implement substructure rules
 

Uses of IRuleSubstructures in toxtree.ui.tree.rules
 

Fields in toxtree.ui.tree.rules declared as IRuleSubstructures
protected  IRuleSubstructures SubstructureRulePanel.rule
           
 

Constructors in toxtree.ui.tree.rules with parameters of type IRuleSubstructures
SubstructureRulePanel(IRuleSubstructures rule)
           
 

Uses of IRuleSubstructures in verhaar.rules
 

Classes in verhaar.rules that implement IRuleSubstructures
 class Rule142
          Monocyclic compounds substituted with halogens.
 class Rule143
          Monocyclic compounds that are unsubstituted or substituted with acyclic structures containing only C&H or complying with rule Rule141.
 class Rule144
          Polycyclic compounds that are unsubstituted or substituted with acyclic structures containing only C&H or complying with Rule141.
 class Rule161
          Aliphatic secondary or tertiary amines.
 class Rule21
          Non- or weakly acidic phenols.
 class Rule22
          Anilines with one nitro substituent and/or one to three chlorine substituents, and/or alkyl substituents.
 class Rule23
          Be mononitroaromatics with one or two chlorine substituents and/or alkyl substituents.
 class Rule25
          Pyridines with one or two chlorine substituents and/or alkyl substituents.
 class RuleIonicGroups
          Uses QueryAssociationBond ro verify if the query compound has an ionic bond.
 class RuleRingMainStrucSubstituents
           
 

Uses of IRuleSubstructures in verhaar.rules.helper
 

Classes in verhaar.rules.helper that implement IRuleSubstructures
 class RuleAnySubstructureCounter
           
 class RuleOnlyAllowedSubstructuresCounter
           
 



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