Package qsardes.descriptor.qsarme
Class QsarMEKappaShapeIndex
java.lang.Object
qsardes.descriptor.DescriptorKappaShapeIndex
qsardes.descriptor.qsarme.QsarMEKappaShapeIndex
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Descriptor
Kappa shape index descriptors (QSAR-ME Profiler 2025).
Calculates kappa shape descriptors using the CDK KappaShapeIndicesDescriptor class.
Returns
Kier1 - First kappa shape index.
Kier2 - Second kappa shape index.
Kier3 - Third kappa shape index.
Calculates kappa shape descriptors using the CDK KappaShapeIndicesDescriptor class.
Returns
Kier1 - First kappa shape index.
Kier2 - Second kappa shape index.
Kier3 - Third kappa shape index.
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Constructor Summary
Constructors -
Method Summary
Methods inherited from class qsardes.descriptor.DescriptorKappaShapeIndex
get_descriptor_names, get_descriptor_type, get_descriptor_values, toString
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Constructor Details
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QsarMEKappaShapeIndex
public QsarMEKappaShapeIndex()
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