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IDecisionRule
rules
See:
Description
Interface Summary | |
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IAlertCounter | |
ILookupFile |
Class Summary | |
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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 |
The package contains several generic implementations of IDecisionRule
rules
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