Package qsardes.descriptor.qsarwb

Class QsarWBFingerprintKlekotaRothCount

java.lang.Object

qsardes.descriptor.DescriptorFingerprintKlekotaRothCount

qsardes.descriptor.qsarwb.QsarWBFingerprintKlekotaRothCount

All Implemented Interfaces:

Descriptor

public final class QsarWBFingerprintKlekotaRothCount
extends DescriptorFingerprintKlekotaRothCount

Klekota and Roth count fingerprints (QSAR-WB Descriptors).

Calculates Klekota and Roth count fingerprints using the CDK KlekotaRothFingerprinter class.

Returns KRFPC#, where # is the SMARTS number.

Constructor Summary

Constructors

Constructor	Description
QsarWBFingerprintKlekotaRothCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorFingerprintKlekotaRothCount

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

QsarWBFingerprintKlekotaRothCount

public QsarWBFingerprintKlekotaRothCount()