vec: Euclidean Representation of Binary Fingerprints

In CDK-R/fingerprint: Functions to Operate on Binary Fingerprint Data

Euclidean Representation of Binary Fingerprints

Description

Ordinarily, a binary fingerprint can be considered to represent a corner of a nD hypercube. However in many cases using such a representation can lead to a very sparse space. Consequently one approach is to convert the fingerprint so that it represents points on a nD unit hypersphere.

The resultant fingerprint is then a nD coordinate.

Usage

euc.vector(fp)

Arguments

fp	An object of class fingerprint.

Value

A numeric of length equal to the bit length of the fingerprint. The result corresponds to a unit vector for a point on the nD hypersphere

Author(s)

Rajarshi Guha [e-mail]

Examples

# make a fingerprint vector
fp <- new("fingerprint", nbit=8, bits=c(1,3,4,5,7))
vec <- euc.vector(fp)

CDK-R/fingerprint documentation built on Oct. 23, 2022, 1:34 p.m.