org.openscience.cdk.fingerprint

Class KlekotaRothFingerprinter

java.lang.Object

org.openscience.cdk.fingerprint.AbstractFingerprinter

org.openscience.cdk.fingerprint.SubstructureFingerprinter

org.openscience.cdk.fingerprint.KlekotaRothFingerprinter

All Implemented Interfaces:

IFingerprinter

public class KlekotaRothFingerprinter
extends SubstructureFingerprinter

SMARTS based substructure fingerprint based on Chemical substructures that enrich for biological activity [Klekota, Justin and Roth, Frederick P., Chemical substructures that enrich for biological activity, Bioinformatics, 2008, 24:2518-2525, doi:10.1093/bioinformatics/btn479]. Presence of 4860 substructures

Author:

yapchunwei

Source code:

master

Belongs to CDK module:

fingerprint

Constructor Summary

Constructors

Constructor and Description
KlekotaRothFingerprinter()

Method Summary

Methods inherited from class org.openscience.cdk.fingerprint.SubstructureFingerprinter

getBitFingerprint, getCountFingerprint, getRawFingerprint, getSize, getSubstructure

Methods inherited from class org.openscience.cdk.fingerprint.AbstractFingerprinter

getFingerprint, getParameters, getVersionDescription

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.openscience.cdk.fingerprint.IFingerprinter

getFingerprint, getVersionDescription

Constructor Detail

KlekotaRothFingerprinter

public KlekotaRothFingerprinter()