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.
|Author||Rajarshi Guha <email@example.com>|
|Date of publication||2016-11-12 21:41:35|
|Maintainer||Rajarshi Guha <firstname.lastname@example.org>|
balance: Generate a Balanced Code Fingerprint
bitimp: Evaluate the Discriminatory Power of Individual Bits in a...
bitspec: Generate a Bit Spectrum from a List of Fingerprints
c: Combine Multiple Features to Give a List of Features
count-methods: Get or Set Count of Occurence of a Feature
distance-methods: Calculates the Similarity or Dissimilarity Between Two...
facmat: Converts a List of Fingerprints to a data.frame of Factors
feature: Class "feature"
feature-methods: Get or Set the Character String Representing the Feature
featvec: Class "featvec"
fingerprint: Class "fingerpint"
fold: Fold a fingerprint
fplogical: Logical Operators for Fingerprints
length: Fingerprint Bit Length
linefunc: Functions to parse lines from fingerprint files
mat: Converts a List of Fingerprints to a Matrix
read: Functions to Read Fingerprints From Files
rndfp: Generate Randomized Fingerprints
shannon: Evaluate Shannon Entropy for a Set of Fingerprints
show: String Representation of a Fingerprint or Feature
sim: Calculates a Similarity Matrix for a Set of Fingerprints
string: Generates a String Representation of a Fingerprint
vec: Euclidean Representation of Binary Fingerprints