balance {fingerprint}

Generate a Balanced Code Fingerprint

Description

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).

Usage

balance(fplist)

Arguments

fplist

A single fingerprint or a list of fingerprints

Value

A single fingerprint objects or list of fingerprint objects that are "balanced", in that they have a bit density of 50 fingerprints.

Author(s)

Rajarshi Guha [e-mail]

References

Nisius, B.; Bajorath, J.; ChemMedChem, 2010, 5, 859-868.

See Also

bit.spectrum, bit.importance