Extract an ordered list of candidate compounds from a
The list is presented in the form of a
data.frame, such that each row
provides the identifying information for a particular candidate compound, and
with the rows arranged in the order that the compounds entered the elastic
net model (i.e. row 1 is the earliest, row 2 the 2nd earliest, etc.). The
columns of the
data.frame provide the mass-to-charge information,
charge information, and possibly the correlation between the compound and the
within-fraction average of the bioactivity replicates in the region of
An object of class
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