Package qsardes.descriptor.qsarwb

Class QsarWBFingerprintSubstructure

java.lang.Object

qsardes.descriptor.DescriptorFingerprintSubstructure

qsardes.descriptor.qsarwb.QsarWBFingerprintSubstructure

All Implemented Interfaces:

Descriptor

public final class QsarWBFingerprintSubstructure
extends DescriptorFingerprintSubstructure

Substructure fingerprints (QSAR-WB Descriptors).

Calculates substructure fingerprints using the CDK SubstructureFingerprinter class.

Returns SubFP#, where # is the SMARTS number.

Constructor Summary

Constructors

Constructor	Description
QsarWBFingerprintSubstructure()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorFingerprintSubstructure

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

QsarWBFingerprintSubstructure

public QsarWBFingerprintSubstructure()