compare.isotope.pattern {rcdk} | R Documentation |
Compare isotope patterns.
Description
Computes a similarity score between two different isotope abundance patterns.
Usage
compare.isotope.pattern(iso1, iso2, ips = NULL)
Arguments
iso1 |
The first isotope pattern, which should be a |
iso2 |
The second isotope pattern, which should be a |
ips |
An instance of the |
Value
A numeric value between 0 and 1 indicating the similarity between the two patterns
Author(s)
Miguel Rojas Cherto
References
http://cdk.github.io/cdk/2.3/docs/api/org/openscience/cdk/formula/IsotopePatternSimilarity.html
See Also
get.isotope.pattern.similarity
[Package rcdk version 3.8.1 Index]