extract_ranked: Extract candidate compounds

Description Usage Arguments

View source: R/RankEN.R

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

1
extract_ranked(rankEN_obj, include_cor = TRUE)

Arguments

rankEN_obj

An object of class rankEN.

include_cor

Either TRUE or FALSE, specifying whether a column should be included in the returning data.frame providing the correlation between the compound and the within-fraction average of the bioactivity replicates in the region of interest.


dpritchLibre/PepSAVIms documentation built on Oct. 1, 2017, 4:14 a.m.