Package | Description |
---|---|
ambit2.db.search.structure | |
ambit2.descriptors.processors | |
ambit2.smarts.processors | |
ambit2.smarts.query |
Ambit implementation of SMARTS parser
|
ambit2.tautomers.processor |
Class and Description |
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SMARTSPropertiesReader
Expects properties to accelerate smarts search , expected in CMLUtilities.SMARTSProp
|
StructureKeysBitSetGenerator
Generates screening fingerprints / structural keys for smarts queries
|
Class and Description |
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SMARTSPropertiesReader
Expects properties to accelerate smarts search , expected in CMLUtilities.SMARTSProp
|
Class and Description |
---|
SMIRKSProcessor |
SMIRKSTransformation
Placeholder for set of SMIRKS with additional options
|
Class and Description |
---|
SMARTSPropertiesReader
Expects properties to accelerate smarts search , expected in CMLUtilities.SMARTSProp
|
Class and Description |
---|
NeutraliseProcessor
Chemical structure neutralisation via set of predefined SMIRKS
/smirks/smirks.json . |
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