Package qsardes.descriptor.qsarwb

Class QsarWBTopologicalPolarSurfaceArea

java.lang.Object

qsardes.descriptor.DescriptorTopologicalPolarSurfaceArea

qsardes.descriptor.qsarwb.QsarWBTopologicalPolarSurfaceArea

All Implemented Interfaces:

Descriptor

public final class QsarWBTopologicalPolarSurfaceArea
extends DescriptorTopologicalPolarSurfaceArea

Topological polar surface area descriptor (QSAR-WB Descriptors).

Calculates the topological polar surface area descriptor using the CDK TPSADescriptor class (checkAromaticity is set to false).

Returns TopoPSA.

Constructor Summary

Constructors

Constructor	Description
QsarWBTopologicalPolarSurfaceArea()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorTopologicalPolarSurfaceArea

get_descriptor_names, get_descriptor_type, get_descriptor_values, toString

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Details

QsarWBTopologicalPolarSurfaceArea

public QsarWBTopologicalPolarSurfaceArea()