Package org.openscience.cdk.fingerprint
Class KlekotaRothFingerprinter
- java.lang.Object
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- org.openscience.cdk.fingerprint.AbstractFingerprinter
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- org.openscience.cdk.fingerprint.SubstructureFingerprinter
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- org.openscience.cdk.fingerprint.KlekotaRothFingerprinter
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- 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.. Bioinformatics. 2008. 24]. Presence of 4860 substructures- Author:
- yapchunwei
- Source code:
- main
- Belongs to CDK module:
- fingerprint
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Constructor Summary
Constructors Constructor Description KlekotaRothFingerprinter()
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Method Summary
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Methods inherited from class org.openscience.cdk.fingerprint.SubstructureFingerprinter
getBitFingerprint, getCountFingerprint, getRawFingerprint, getSize, getSubstructure
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Methods inherited from class org.openscience.cdk.fingerprint.AbstractFingerprinter
getFingerprint, getParameters, getVersionDescription
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.openscience.cdk.fingerprint.IFingerprinter
getFingerprint, getVersionDescription
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