Package com.chemaxon.descriptors.fingerprints.pf2d

package com.chemaxon.descriptors.fingerprints.pf2d

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.

See Also:

• http://www.chemaxon.com/jchem/doc/user/PFp2D.html

Class	Description
PfComparator	Comparator for PharmacophoreFP descriptor representation.
PfGenerator	Generates 2D pharmacophore fingerprints.
PfParameters	Pharmacophore FP parameters class.
PfParameters.Builder	Builder class for the immutable parameter object.
PfParameters.ConstructPfGenerator	Interface representing PF generator constructor.
PfTableReader	MDTable reader for 2D pharmacophore fingerprints.
PfTableReader.Factory	Factory class.
PharmacophoreFP	2D pharmacophore fingerprint representation.