binMS | Consolidate mass spectrometry observations |
bioact | Bioactivity data |
extractMS | Extract embedded mass spectrometry data |
extract_ranked | Extract candidate compounds |
filterMS | Filter compounds from mass spectrometry data |
mass_spec | Mass spectrometry data |
msDat | Constructor for class 'msDat' |
print.filterMS | Basic information for class 'filterMS' |
print.msDat | Print method for class 'msDat' |
print.rankEN | Basic information for class 'rankEN' |
rankEN | Rank compounds via the Elastic Net path |
summary.binMS | Overview of the binning process |
summary.filterMS | Overview of the filtering process |
summary.rankEN | Overview of the elastic net selection process |