get.isotope.pattern.similarity

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.

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

<dl><dt>tol</dt>
<dd>The tolerance</dd></dl>

Arguments

Author

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

<dl>

<dt>tol</dt>
<dd>The tolerance</dd>

</dl>

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

Description

Usage

Value

Arguments

Author

References

See Also