Generate a Balanced Code Fingerprint
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).
balance(fplist)
fplist |
A single fingerprint or a list of fingerprints |
A single fingerprint objects or list of fingerprint objects that are "balanced", in that they have a bit density of 50 fingerprints.
Rajarshi Guha rajarshi.guha@gmail.com
Nisius, B.; Bajorath, J.; ChemMedChem, 2010, 5, 859-868.
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