#### /fingerprint/man/bitimp.Rd

http://github.com/rajarshi/cdkr
Unknown | 33 lines | 33 code | 0 blank | 0 comment | 0 complexity | d76542452b5b085238f6708e4c24593c MD5 | raw file
 1\name{bit.importance}
2\alias{bit.importance}
3\title{
4Evaluate the Discriminatory Power of Individual Bits in a Binary Fingerprint
5}
6\description{
7This method evaluates the Kullback-Leibler (KL) divergence to rank the
8individual bits in a binary fingerprint in their ability to discriminate
9between database and active compounds. This method is implemented based on
10Nisius and Bajorath and includes an m-estimate correction.
11}
12\usage{
13bit.importance(actives, background)
14}
15\arguments{
16\item{actives}{A list of fingerprints for the actives}
17\item{background}{A list of fingerprints representing the background collection}
18}
19\value{
20A numeric vector of length equal to the size of the fingerprints. Each element
21of the vector is the KL divergence for the corresponding bit. If a bit position
22is never set to 1 in any of the compounds from the actives and the background, then
23the KL divergence for that position is undefined and \code{NA} is returned.
24}
25\seealso{