Package toxTree.tree.rules

The package contains several generic implementations of IDecisionRule rules

See: Description

Interface Summary

Interface	Description
IAlertCounter
ILookupFile

Class Summary

Class	Description
DefaultAlertCounter
InChILookupFile	In-memory InChI lookup.
LookupFile
RuleAllAllowedElements
RuleAllSubstructures	Verifies if all of the fragments are a substructure of moleclue
RuleAnySubstituents	Verifies if the molecule consists of only allowed substituents
RuleAnySubstructure	Verifies if the molecule has at least one substructure of the list
RuleAromatic	Verifies if the molecule is aromatic by applying the Hueckel rule
RuleCarbohydrate	Verifies if the molecule is a carbohydrate
RuleCommonTerpene	Verifies if the molecule is a common terpene
RuleDescriptor	An abstract class to allow for descriptor analysis
RuleDescriptorRange	Verifies if the descriptor is within a range
RuleElements	Verifies if the molecule consists of only allowed elements
RuleHeterocyclic	Verifies if the molecule is heterocyclic
RuleInitAlertCounter
RuleLipinski5	Returns true if all Lipinski Rule of Five are true
RuleManyAromaticRings	Verifies if there are many aromatic rings
RuleMolecularMassRange	Molecular mass in [RuleDescriptorRange.getMinValue(),RuleDescriptorRange.getMaxValue()] TODO add description
RuleOnlyAllowedSubstructures	Verifies if the structure contains only allowed substructures
RuleOpenChain	Verifies if the moleucle is open chain
RuleReadilyHydrolised	Verifies if a compound is readily hydrolised
RuleRingAllowedSubstituents	A rule to analyze ring substituents
RuleRingOtherThanAllowedSubstituents	A rule to analyze ring substituents
RuleRings
RuleRingSubstituents	A rule to analyze ring substituents
RuleStructuresList	A rule, which returns true if the query is isomorphic to one of the structures read from a preconfigured file of a type SDF, SMI, CSV
RuleSubstructures	An abstract class to implement substructure rules
RuleVerifyAlertsCounter
RuleVerifyProperty	Verifies if property is >, < or = to a RuleVerifyProperty.getProperty() value.
StructureAlert
StructureAlertAmbit
StructureAlertCDK
UserInputRule

Package toxTree.tree.rules Description

The package contains several generic implementations of IDecisionRule rules