fingerprint: Functions for Processing Binary Fingerprint Data

A S4 class to represent binary 'fingerprints' and methods to manipulate fingerprint objects. Internally, the 'fingerprint' class models a binary fingerprint as 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: 3.5.4
Depends: methods
Suggests: RUnit
Published: 2016-11-12
Author: Rajarshi Guha
Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>
License: LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL]
NeedsCompilation: yes
Materials: ChangeLog
CRAN checks: fingerprint results

Downloads:

Reference manual: fingerprint.pdf
Package source: fingerprint_3.5.4.tar.gz
Windows binaries: r-devel: fingerprint_3.5.4.zip, r-release: fingerprint_3.5.4.zip, r-oldrel: fingerprint_3.5.4.zip
OS X Mavericks binaries: r-release: fingerprint_3.5.4.tgz, r-oldrel: fingerprint_3.5.4.tgz
Old sources: fingerprint archive

Reverse dependencies:

Reverse depends: rcdk
Reverse imports: RxnSim

Linking:

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