Package qsardes.descriptor.qsarwb

Class QsarWBWeight

java.lang.Object

qsardes.descriptor.DescriptorWeight

qsardes.descriptor.qsarwb.QsarWBWeight

All Implemented Interfaces:

Descriptor

public final class QsarWBWeight
extends DescriptorWeight

Weight descriptors (QSAR-WB Descriptors).

Calculates weight descriptors using the CDK WeightDescriptor class.

Returns

MW - Molecular weight.

AMW - Average molecular weight calculated as molecular weight / atoms count.

Constructor Summary

Constructors

Constructor	Description
QsarWBWeight()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorWeight

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

QsarWBWeight

public QsarWBWeight()