From the View of an Atom — Local and Restricted RDF Descriptors

6 FROM THE VIEW OF AN ATOM — LOCAL AND RESTRICTED RDF DESCRIPTORS 

Instead of describing a complete molecule, we can restrict the calculation of an RDF descriptor to parts of a molecule or just a single atom. This is particularly helpful if the property we want to model relies on partial structure information rather than on the entire molecule, such as in nuclear magnetic resonance spectroscopy. The distance range for which an RDF descriptor is calculated may cover the entire molecule — as with the functions introduced already — or a certain fraction of the molecule or individual atoms. RDF descriptors can be divided into two types. 

---