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Packages that use IRuleSubstructures | |
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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 |
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Classes in mic.rules that implement IRuleSubstructures | |
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class |
SA26
Aromatic ring N-oxide. |
Uses of IRuleSubstructures in mutant.rules |
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Classes in mutant.rules that implement IRuleSubstructures | |
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class |
SA20_nogen
|
Uses of IRuleSubstructures in sicret.rules |
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Classes in sicret.rules that implement IRuleSubstructures | |
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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 |
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Classes in toxtree.plugins.kroes.rules that implement IRuleSubstructures | |
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class |
RuleKroesFig1Q1
TODO refactor with SMARTS |
Uses of IRuleSubstructures in toxTree.tree.cramer |
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Classes in toxTree.tree.cramer that implement IRuleSubstructures | |
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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 |
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Classes in toxTree.tree.rules that implement IRuleSubstructures | |
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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 |
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Fields in toxtree.ui.tree.rules declared as IRuleSubstructures | |
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protected IRuleSubstructures |
SubstructureRulePanel.rule
|
Constructors in toxtree.ui.tree.rules with parameters of type IRuleSubstructures | |
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SubstructureRulePanel(IRuleSubstructures rule)
|
Uses of IRuleSubstructures in verhaar.rules |
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Classes in verhaar.rules that implement IRuleSubstructures | |
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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 |
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Classes in verhaar.rules.helper that implement IRuleSubstructures | |
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class |
RuleAnySubstructureCounter
|
class |
RuleOnlyAllowedSubstructuresCounter
|
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