bit.spectrum

A list structure with each element being an object of class
	<code>fingerprint</code>. These will can be constructed by hand or
	read from disk via <code><a href="/link/fp.read?package=fingerprint&version=3.1.1" rd-options="" data-mini-rdoc="fingerprint::fp.read">fp.read</a></code>.	All fingerprints in the list should be of the s

fplist

The idea of comparing datasets using fingerprints was described in
Guha & Schurer (2008). The idea is that one can summarize the dataset
by counting the frequency of occurrence of each bit position. The
frequency is normalized by the number of fingerprints considered. Thus a
collection of N fingerprints can be converted to a single vector of
numbers highlighting the most frequent bits with respect to a given
dataset. A plot of this vector looks like a traditional spectrum and
hence the name.The bit spectra for two datasets (assuming that the same types of
fingerprints have been used) allows one to compare the similarity of
the datasets, without having to do a full pairwise similarity
calculation. The difference between the structural features of the
datasets can be quantified by evaluating the distance between the two
bit spectra.

programming

This package contains functions to manipulate binary fingerprints
 of arbitrary length. A fingerprint is represented by an object of S4 class 'fingerprint'
 which is internally represented a vector of integers, such
 that each element represents the position in the fingerprint that is set to 1.
 The bitwise logical functions in R are overridden so that they can be used directly
 with 'fingerprint' objects. A number of distance metrics are also
 available (many contributed by Michael Fadock). Fingerprints 
 can be converted to Euclidean vectors (i.e., points on the unit hypersphere) and
 can also be folded using OR.  Arbitrary fingerprint formats can be handled via line
 handlers. Currently handlers are provided for CDK, MOE and BCI fingerprint data.

bit.spectrum: Generate a Bit Spectrum from a List of Fingerprints

Description

Usage

Arguments

Value

References

See Also