Package qsardes.descriptor.qsarme

Class QsarMEFingerprintKlekotaRoth

java.lang.Object

qsardes.descriptor.DescriptorFingerprintKlekotaRoth

qsardes.descriptor.qsarme.QsarMEFingerprintKlekotaRoth

All Implemented Interfaces:

Descriptor

public final class QsarMEFingerprintKlekotaRoth
extends DescriptorFingerprintKlekotaRoth

Klekota and Roth fingerprints (QSAR-ME Profiler 2025).

Calculates Klekota and Roth fingerprints using the CDK KlekotaRothFingerprinter class.

Returns KRFP#, where # is the SMARTS number.

Constructor Summary

Constructors

Constructor	Description
QsarMEFingerprintKlekotaRoth()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorFingerprintKlekotaRoth

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

QsarMEFingerprintKlekotaRoth

public QsarMEFingerprintKlekotaRoth()