get.isotope.pattern.similarity

<p>A method that returns an instance of the CDK <code>IsotopePatternSimilarity</code>
class which can be used to compute similarity scores between pairs of
isotope abundance patterns.</p>

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

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.isotope.pattern.similarity function

Construct an isotope pattern similarity calculator. — get.isotope.pattern.similarity

Construct an isotope pattern similarity calculator.

get.isotope.pattern.similarity: Construct an isotope pattern similarity calculator.

Description

Usage

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See Also