class |
AtomPairs2DFingerprinter |
|
class |
CircularFingerprinter |
Circular fingerprints: for generating fingerprints that are functionally equivalent to ECFP-2/4/6 and FCFP-2/4/6
fingerprints, which are partially described by Rogers et al.
|
class |
EStateFingerprinter |
This fingerprinter generates 79 bit fingerprints using the E-State
fragments.
|
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 |
|
class |
KlekotaRothFingerprinter |
|
class |
LingoFingerprinter |
|
class |
MACCSFingerprinter |
This fingerprinter generates 166 bit MACCS keys.
|
class |
PubchemFingerprinter |
Generates a Pubchem fingerprint for a molecule.
|
class |
ShortestPathFingerprinter |
|
class |
SignatureFingerprinter |
|
class |
SubstructureFingerprinter |
IFingerprinter that gives a bit set which has a size equal to the number
of substructures it was constructed from.
|