compare.isotope.pattern

The first isotope pattern, which should be a <code>jobjRef</code> corresponding to the <code>IsotopePattern</code> class

iso1

The second isotope pattern, which should be a <code>jobjRef</code> corresponding to the <code>IsotopePattern</code> class

iso2

An instance of the <code>IsotopePatternSimilarity</code> class. if <code>NULL</code> one will be constructed automatically

Computes a similarity score between two different isotope abundance patterns.

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

compare.isotope.pattern: Compare isotope patterns.

Description

Usage

Arguments

Value

References

See Also