Package toxTree.tree.rules

The package contains several generic implementations of IDecisionRule rules

See:
          Description

Interface Summary
IAlertCounter  
ILookupFile  
 

Class Summary
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



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