rcdk: compare.isotope.pattern – R documentation

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compare.isotope.pattern

Compare isotope patterns.

Computes a similarity score between two different isotope abundance patterns.

compare.isotope.pattern(iso1, iso2, ips = NULL)

`iso1`	The first isotope pattern, which should be a `jobjRef` corresponding to the `IsotopePattern` class
`iso2`	The second isotope pattern, which should be a `jobjRef` corresponding to the `IsotopePattern` class
`ips`	An instance of the `IsotopePatternSimilarity` class. if `NULL` one will be constructed automatically

A numeric value between 0 and 1 indicating the similarity between the two patterns

Miguel Rojas Cherto