Name | Description | Type | Package | Framework |
EStateFingerprinter | This fingerprinter generates 79 bit fingerprints using the E-State The E-State fragments are those described in and | Class | org.openscience.cdk.fingerprint | CDK |
ExtendedFingerprinter | Generates an extended fingerprint for a given IAtomContainer, that extends the Fingerprinter with additional bits describing ring | Class | org.openscience.cdk.fingerprint | CDK |
Fingerprinter | Generates a fingerprint for a given AtomContainer. | Class | org.openscience.cdk.fingerprint | CDK |
FingerprinterTool | Tool with helper methods for IFingerprint. | Class | org.openscience.cdk.fingerprint | CDK |
GraphOnlyFingerprinter | Specialized version of the Fingerprinter which does not take bond ordersAuthor:egonwSee Also:FingerprinterKeywords:fingerprint, similarityCreated on:2007-01-11 | Class | org.openscience.cdk.fingerprint | CDK |
HybridizationFingerprinter | Generates a fingerprint for a given IAtomContainer. | Class | org.openscience.cdk.fingerprint | CDK |
IFingerprinter | Interface for fingerprint calculators. | Interface | org.openscience.cdk.fingerprint | CDK |
KlekotaRothFingerprinter | SMARTS based substructure fingerprint based on Chemical substructures that enrich for biological activity . | Class | org.openscience.cdk.fingerprint | CDK |
MACCSFingerprinter | This fingerprinter generates 166 bit MACCS keys. | Class | org.openscience.cdk.fingerprint | CDK |
PubchemFingerprinter | Generates a Pubchem fingerprint for a molecule. | Class | org.openscience.cdk.fingerprint | CDK |
StandardSubstructureSets | Class | org.openscience.cdk.fingerprint | CDK | |
SubstructureFingerprinter | IFingerprinter that gives a bit set which has a size equal to the number of substructures it was constructed from. | Class | org.openscience.cdk.fingerprint | CDK |