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.
Package details 


Author  Rajarshi Guha <rajarshi.guha@gmail.com> 
Date of publication  20161112 21:41:35 
Maintainer  Rajarshi Guha <rajarshi.guha@gmail.com> 
License  LGPL 
Version  3.5.4 
Package repository  View on CRAN 
Installation 
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