chemaxon.fingerprints.cfp
def
cfp( mol: chemaxon.molecule.Molecule, bondCount: int = 7, bitsPerPattern: int = 3, length: int = 1024, considerRings: bool = True) -> chemaxon.fingerprints.fingerprint.Fingerprint:
CFP fingerprint calculation.
The chemical hashed fingerprint of a molecule is bit string (a sequence of 0 and 1 digits) that contains information on the structure.
Link: https://docs.chemaxon.com/display/docs/fingerprints_chemical-hashed-fingerprint.md
Parameters
mol : Molecule
Input molecule
bondCount : int
The maximum length of consecutive bonds in the linear paths that are considered during the fragmentation
of the molecule
bitsPerPattern : int
The number of bits used to code each pattern in the hashed binary vector representation
length : int
Default length (bit count) for CFP - folded binary fingerprint representation
considerRings : bool
Returns
fingerprint : Fingerprint
The generated CFP fingerprint