BRAIN

Baffling Recursive Algorithm for Isotope distributioN calculations

Bioconductor version: 3.23 · Package version: 1.58.0

Package for calculating aggregated isotopic distribution and exact center-masses for chemical substances (in this version composed of C, H, N, O and S). This is an implementation of the BRAIN algorithm described in the paper by J. Claesen, P. Dittwald, T. Burzykowski and D. Valkenborg.

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("BRAIN")