Package qsardes.descriptor.qsarme

Class QsarMEWeightedPath

java.lang.Object

qsardes.descriptor.DescriptorWeightedPath

qsardes.descriptor.qsarme.QsarMEWeightedPath

All Implemented Interfaces:

Descriptor

public final class QsarMEWeightedPath
extends DescriptorWeightedPath

Weighted path descriptors (QSAR-ME Profiler 2025).

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
QsarMEWeightedPath()

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

QsarMEWeightedPath

public QsarMEWeightedPath()