balance

<p>A single fingerprint or a list of fingerprints</p>

fplist

<p>It has been noted that the bit density in a fingerprint can affect its ability to
retrieve similar compounds from a database primarily due to complexity effects. One
approach to alleviating these effects is to generate fingerprints that have a bit
density of 50
balanced code approach described by Nisius and Bajorath to convert an ordinary
binary fingerprint (whose bit density is not 50
50
(resulting in a fingerprint twice the size of the original).</p>

programming

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. 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.

balance: Generate a Balanced Code Fingerprint

Description

Usage

Arguments

Value

References

See Also