Package qsardes.descriptor.qsarme

Class QsarMEWalkCount

java.lang.Object

qsardes.descriptor.DescriptorWalkCount

qsardes.descriptor.qsarme.QsarMEWalkCount

All Implemented Interfaces:

Descriptor

public final class QsarMEWalkCount
extends DescriptorWalkCount

Walk count descriptors (QSAR-ME Profiler 2025).

Calculates walk count descriptors.

MWC# - Order # walk count log(1 + x) scale.
SRW# - Order # self-returning walk count log(1 + x) scale.

# is the order spanning from 2 to 10.

TWC - Total walk count (orders from 2 to 10).
TSRW - Total self-return walk count (up to order 10) log(1 + x) scale.

Constructor Summary

Constructors

Constructor	Description
QsarMEWalkCount()

Method Summary

Modifier and Type	Method	Description
protected double	calculate_tsrw(int diag_value)
protected double	get_tsrw(double tsrw)

Methods inherited from class qsardes.descriptor.DescriptorWalkCount

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

QsarMEWalkCount

public QsarMEWalkCount()

Method Details

calculate_tsrw

protected double calculate_tsrw(int diag_value)

Specified by:

calculate_tsrw in class DescriptorWalkCount

get_tsrw

protected double get_tsrw(double tsrw)

Specified by:

get_tsrw in class DescriptorWalkCount