See: Description
| Interface | Description |
|---|---|
| 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.
|
| ThreadLocalizedPfParameters.ConstructThreadLocalizedPfGenerator |
Interface representing PF generator constructor.
|
| Class | Description |
|---|---|
| ConstructPfGeneratorImpl |
Constructor implementation.
|
| ConstructThreadLocalizedPfGeneratorImpl |
Constructor implementation.
|
| PfComparatorImpl |
PfComparator implementation.
|
| PfParameters |
Pharmacophore FP parameters class.
|
| PfParameters.Builder |
Builder class for the immutable parameter object.
|
| PfTableReader |
MDTable reader for 2D pharmacophore fingerprints.
|
| PfTableReaderImpl |
PfTableReader implementation.
|
| PfTableReaderImpl.PfReaderFactoryImpl |
Factory implementation for PfTableReader.
|
| PharmacophoreFPImpl |
Pharmacophore fingerprint implementation.
|
| ThreadLocalizedPfParameters |
Parameters class for
ThreadLocalizedPfGenerator. |
| ThreadLocalizedPfParameters.Builder |
Builder class for the immutable parameter object.
|
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.