Package qsardes.descriptor.qsarwb

Class QsarWBFingerprintEstateCount

java.lang.Object

qsardes.descriptor.DescriptorFingerprintEstateCount

qsardes.descriptor.qsarwb.QsarWBFingerprintEstateCount

All Implemented Interfaces:

Descriptor

public final class QsarWBFingerprintEstateCount
extends DescriptorFingerprintEstateCount

Kier and Hall fragment count fingerprints (QSAR-WB Descriptors).

Calculates the Estate count fingerprint using the CDK KierHallSmartsDescriptor class.

Returns khs.#

# is the Kier and Hall fragment.

Constructor Summary

Constructors

Constructor	Description
QsarWBFingerprintEstateCount()

Method Summary

Methods inherited from class qsardes.descriptor.DescriptorFingerprintEstateCount

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

QsarWBFingerprintEstateCount

public QsarWBFingerprintEstateCount()