Package com.chemaxon.descriptors.fingerprints.cfp

API of the Chemaxon hashed fingerprint family molecular descriptors.

ChemAxon hashed fingerprint is a structure based fingerprint, constructed from

• Up to a given a bond number, all linear paths (linear patterns) consisting bonds and atoms of a structure
• Branching points at the end of each linear pattern are also detected.
• All cycles (cyclic patterns)
• Using a proprietary hashing method, a given number of bits in the bit string are set for each pattern.

Please note that classes and interfaces in this package are marked with @Beta annotation, so they can be subject of incompatible changes or removal in later releases.

See Also:

http://www.chemaxon.com/jchem/doc/user/fingerprint.html

Interface Summary

Interface	Description
Cfp	Folded fixed length bit string representation of the CFP descriptor.
CfpComparator	Comparator for Cfp descriptor representation.
CfpGenerator	Calculates CFP (fixed length folded binary vector representation) descriptors.
CfpParameters.ConstructCfpGenerator	Interface representing CFP generator constructor.
CfpTableReader.Factory	Factory class.

Class Summary

Class	Description
CfpParameters	CFP parameters class.
CfpParameters.Builder	Builder class for the immutable parameter object.
CfpTableReader	MDTable reader for CFP.