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.
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Interface Summary Interface Description Cfp Folded fixed length bit string representation of the CFP descriptor.CfpComparator Comparator forCfp
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.