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fingerprint (version 2.2)

Functions to operate on binary fingerprint data

Description

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. Distances metrics are also available. Fingerprints can be converted to Euclidean vectors (i.e., points on the unit hypersphere)i and can also be folded using XOR. Arbitrary fingerprint formats can be handled via line handlers. Currently handlers are provided for CDK, MOE and BCI fingerprint data.

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Version

Install

install.packages('fingerprint')

Monthly Downloads

1,158

Version

2.2

License

GPL

Maintainer

Rajarshi Guha

Last Published

April 11th, 2018

Functions in fingerprint (2.2)

fp.read, fp.read.to.matrix

Functions to Read Fingerprints From Files
cdk.lf, moe.lf, bci.lf

Functions to parse lines from fingerprint files
distance

Calculates the Distance Between Two Fingerprints
length

Fingerprint Bit Length
fp.to.matrix

Converts a List of Fingerprints to a Matrix
fp.factor.matrix

Converts a List of Fingerprints to a data.frame of Factors
as.character

Generates a String Representation of a Fingerprint
random.fingerprint

Generate Randomized Fingerprints
!,&,|

Logical Operators for Fingerprints
fp.sim.matrix

Calculates a Similarity Matrix for a Set of Fingerprints
euc.vector

Euclidean Representation of Binary Fingerprints
fold

Fold a fingerprint
show

String Representation of a Fingerprint
fingerprint-class

Class "fingerpint"