Package qsardes.descriptor.qsarwb

Class QsarWBWeightedPath

java.lang.Object

qsardes.descriptor.DescriptorWeightedPath

qsardes.descriptor.qsarwb.QsarWBWeightedPath

All Implemented Interfaces:

Descriptor

public final class QsarWBWeightedPath
extends DescriptorWeightedPath

Weighted path descriptors (QSAR-WB Descriptors).

Calculates weighted path descriptors using the CDK WeightedPathDescriptor class.

Returns

WTPT1 - Molecular ID.
WTPT2 - Molecular ID / number of atoms.
WTPT3 - Sum of path lengths starting from heteroatoms.
WTPT4 - Sum of path lengths starting from oxygens.
WTPT5 - Sum of path lengths starting from nitrogens.

Constructor Summary

Constructors

Constructor	Description
QsarWBWeightedPath()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorWeightedPath

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

QsarWBWeightedPath

public QsarWBWeightedPath()