Abstract
We have three (potentially four) R packages that we wish to make available on Github and will be part of an upcoming manuscript: MetaCycData - a parsed form of the MetaCyc database which is accessed and used by the package fticRanalysis to map observed molecules to functional pathways. The license for MetaCyc can be found here: https://metacyc.org/download-flatfiles.shtml fticRanalysis - a package to hand data formatting and storage of Fourier-transform ion cyclotron resonance (FTICR) data in a generalizable way. Additional functionality is available for manipulating and transforming the data, filtering the data based on different criteria, creating summary plots (e.g. Van Krevelen plots, Kendrick plots, etc.), summarizing group-level data, comparing treatment groups, and making complementary plotting functionality KeggData - a parsed form of the KEGG database which is accessed and used by the fticRanalysis package. KEGG is not an open source database, so this package may need to be modified or may not be releasable externally. FREDA - shiny application that makes user interface to interactively process and explore FTICR data
Exploratory License
Eligible for exploratory license
Market Sector
Biological Sciences and Omics