cdk.lf

moe.lf

bci.lf

line

These functions take a single line and parses it to produce 
a vector of integers which represents the position of the 'on' bits in
a fingerprint. This allows the user to use <code>read.fp</code> with arbitrary fingerprint
files. A new file format can be handled by defining a new line parser function.
Currently the three functions process fingerprint files obtained from the 
CDK (<url>http://cdk.sourceforge.net</url>), MOE (<url>http://chemcomp.com</url>)
and BCI (<url>http://www.digitalchemistry.co.uk/</url>)

logic

cdk.lf, moe.lf, bci.lf

This package contains 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. Distances  metrics are also available. Fingerprints 
 can be converted to Euclidean vectors (i.e., points on the unit hypersphere)i and
 can also be folded using XOR.  Arbitrary fingerprint formats can be handled via line
 handlers. Currently handlers are provided for CDK, MOE and BCI fingerprint data.

cdk.lf, moe.lf, bci.lf: Functions to parse lines from fingerprint files

Description

Usage

Arguments

Value