balance: Generate a Balanced Code Fingerprint
In CDK-R/fingerprint: Functions to Operate on Binary Fingerprint Data
balance R Documentation
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 rajarshi.guha@gmail.com
References
Nisius, B.; Bajorath, J.; ChemMedChem, 2010,
5, 859-868.
See Also
bit.spectrum, bit.importance
CDK-R/fingerprint documentation built on Oct. 23, 2022, 1:34 p.m.
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| balance | R Documentation |
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 rajarshi.guha@gmail.com
References
Nisius, B.; Bajorath, J.; ChemMedChem, 2010, 5, 859-868.
See Also
bit.spectrum, bit.importance
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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