•The process of
taking a large set of objects and partitioning
them into subsets such that objects, within a set, are more like each other than they are like objects in other sets,
is known as clustering.
•If we take our
ordered lists for all possible targets then in the same way that a pair of compounds is said to be similar if they contain a proportion of the same substructures ( shared bits = c ), compounds can be grouped if
they share a proportion ofnearest neighbours.
by proportion of shared nearest neighbours is
an appropriate algorithm for Daylight non-parametric descriptors and is the basis of the Jarvis-Patrick clustering algorithm.