Package qsardes.descriptor.qsarwb

Class QsarWBFingerprintPubchem

java.lang.Object

qsardes.descriptor.DescriptorFingerprintPubchem

qsardes.descriptor.qsarwb.QsarWBFingerprintPubchem

All Implemented Interfaces:

Descriptor

public final class QsarWBFingerprintPubchem
extends DescriptorFingerprintPubchem

Pubchem fingerprints (QSAR-WB Descriptors).

Calculates Pubchem fingerprints using the CDK PubchemFingerprinter class.

Returns PubchemFP#, where # is the substructure number.

Constructor Summary

Constructors

Constructor	Description
QsarWBFingerprintPubchem()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorFingerprintPubchem

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

QsarWBFingerprintPubchem

public QsarWBFingerprintPubchem()