fingerprint: Functions to Operate on Binary Fingerprint Data

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.

Version:	3.5.10
Depends:	methods
Suggests:	RUnit, testthat (≥ 3.0.0)
Published:	2026-04-04
DOI:	10.32614/CRAN.package.fingerprint
Author:	Rajarshi Guha [aut], Zach Charlop-Powers [cre]
Maintainer:	Zach Charlop-Powers <zach.charlop.powers at gmail.com>
BugReports:	https://github.com/CDK-R/cdkr/issues
License:	GPL-2 | GPL-3 | file LICENSE [expanded from: GPL | file LICENSE]
NeedsCompilation:	yes
Materials:	ChangeLog
In views:	ChemPhys
CRAN checks:	fingerprint results

Documentation:

Reference manual:

fingerprint.html , fingerprint.pdf

Downloads:

Package source:	fingerprint_3.5.10.tar.gz
Windows binaries:	r-devel: fingerprint_3.5.10.zip, r-release: fingerprint_3.5.7.zip, r-oldrel: fingerprint_3.5.7.zip
macOS binaries:	r-release (arm64): fingerprint_3.5.10.tgz, r-oldrel (arm64): fingerprint_3.5.7.tgz, r-release (x86_64): fingerprint_3.5.7.tgz, r-oldrel (x86_64): fingerprint_3.5.7.tgz
Old sources:	fingerprint archive

Reverse dependencies:

Reverse imports:

rcdk, RxnSim

Linking:

Please use the canonical form https://CRAN.R-project.org/package=fingerprint to link to this page.