jklustor-all-api-0.0.7-20140619012755 (ChemAxon)


Package com.chemaxon.descriptors.fingerprints.pf2d

API of the 2D pharmacophore fingerprint family molecular descriptors.

See:
          Description

Interface Summary
PfComparator Comparator for PharmacophoreFP descriptor representation.
PfGenerator Generates 2D pharmacophore fingerprints.
PfParameters.ConstructPfGenerator Interface representing PF generator constructor.
PfTableReader.Factory Factory class.
PharmacophoreFP 2D pharmacophore fingerprint representation.
 

Class Summary
PfParameters Pharmacophore FP parameters class.
PfParameters.Builder Builder class for the immutable parameter object.
PfTableReader MDTable reader for 2D pharmacophore fingerprints.
 

Package com.chemaxon.descriptors.fingerprints.pf2d Description

API of the 2D pharmacophore fingerprint family molecular descriptors.

Atom-pair based 2D pharmacophore fingerprints are defined as the collection of all atom-atom pharmacophore feature pairs along with their topological distances. In order to make the handling of this often large amount of data easier, the data set is represented in histograms. One histogram is associated with each pharmacophore feature pair (for example acceptor-acceptor, donor-positive, negative-hydrophobic etc.).

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.

Author:
Laszlo Antal
See Also:
http://www.chemaxon.com/jchem/doc/user/PFp2D.html

jklustor-all-api-0.0.7-20140619012755 (ChemAxon)