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.

Documentation

Manual: fingerprint.pdf
Vignette: None available.

Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>

Author(s): Rajarshi Guha <rajarshi.guha at gmail.com>

Install package and any missing dependencies by running this line in your R console:

install.packages("fingerprint")

Depends methods
Imports
Suggests RUnit
Enhances
Linking to
Reverse
depends
rcdk
Reverse
imports
rpubchem, RxnSim
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suggests
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enhances
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linking to

Package fingerprint
Materials
URL
Task Views
Version 3.5.4
Published 2016-11-12
License LGPL
BugReports
SystemRequirements
NeedsCompilation yes
Citation
CRAN checks fingerprint check results
Package source fingerprint_3.5.4.tar.gz