Package qsardes.descriptor.qsarwb
Class QsarWBRuleOfFive
java.lang.Object
qsardes.descriptor.DescriptorRuleOfFive
qsardes.descriptor.qsarwb.QsarWBRuleOfFive
- All Implemented Interfaces:
Descriptor
Rule of five descriptor (QSAR-WB Descriptors).
Calculates the rule of five descriptor using the CDK RuleOfFiveDescriptor class (checkAromaticity is set to false).
Returns LipinskiFailures.
Calculates the rule of five descriptor using the CDK RuleOfFiveDescriptor class (checkAromaticity is set to false).
Returns LipinskiFailures.
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Constructor Summary
Constructors -
Method Summary
Methods inherited from class qsardes.descriptor.DescriptorRuleOfFive
get_descriptor_names, get_descriptor_type, get_descriptor_values, toString
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Constructor Details
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QsarWBRuleOfFive
public QsarWBRuleOfFive()
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