Uses of Interface
toxTree.core.IRuleSubstructures

Packages that use IRuleSubstructures

Package	Description
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

Modifier and Type	Class and Description
class	SA26 Aromatic ring N-oxide.

Uses of IRuleSubstructures in mutant.rules

Classes in mutant.rules that implement IRuleSubstructures

Modifier and Type	Class and Description
class	SA20_nogen

Uses of IRuleSubstructures in sicret.rules

Classes in sicret.rules that implement IRuleSubstructures

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
class	RuleKroesFig1Q1 TODO refactor with SMARTS

Uses of IRuleSubstructures in toxTree.tree.cramer

Classes in toxTree.tree.cramer that implement IRuleSubstructures

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
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

Modifier and Type	Field and Description
protected IRuleSubstructures	SubstructureRulePanel.rule

Constructors in toxtree.ui.tree.rules with parameters of type IRuleSubstructures

Constructor and Description
SubstructureRulePanel(IRuleSubstructures rule)

Uses of IRuleSubstructures in verhaar.rules

Classes in verhaar.rules that implement IRuleSubstructures

Modifier and Type	Class and Description
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

Modifier and Type	Class and Description
class	RuleAnySubstructureCounter
class	RuleOnlyAllowedSubstructuresCounter