| extract_ranked {PepSAVIms} | R Documentation |
Extract candidate compounds
Description
Extract an ordered list of candidate compounds from a rankEN object.
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
interest.
Usage
extract_ranked(rankEN_obj, include_cor = TRUE)
Arguments
rankEN_obj |
An object of class |
include_cor |
Either |