Package | Description |
---|---|
org.openscience.cdk.fingerprint |
Modifier and Type | Class and Description |
---|---|
class |
EStateFingerprinter
This fingerprinter generates 79 bit fingerprints using the E-State
fragments.
|
class |
ExtendedFingerprinter
Generates an extended fingerprint for a given
IAtomContainer , that
extends the Fingerprinter with additional bits describing ring
features. |
class |
Fingerprinter
Generates a fingerprint for a given AtomContainer.
|
class |
GraphOnlyFingerprinter
Specialized version of the
Fingerprinter which does not take bond orders
into account. |
class |
HybridizationFingerprinter
Generates a fingerprint for a given
IAtomContainer . |
class |
KlekotaRothFingerprinter
SMARTS based substructure fingerprint based on
|
class |
MACCSFingerprinter
This fingerprinter generates 166 bit MACCS keys.
|
class |
PubchemFingerprinter
Generates a Pubchem fingerprint for a molecule.
|
class |
SubstructureFingerprinter
IFingerprinter that gives a bit set which has a size equal to the number
of substructures it was constructed from. |