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BRAIN

This is the released version of BRAIN; for the devel version, see BRAIN.

All versions

3.24 (devel), 3.23 (release), 3.22, 3.21, 3.20, 3.19, 3.18, 3.17, 3.16, 3.15, 3.14, 3.13, 3.12, 3.11, 3.10, 3.9, 3.8, 3.7, 3.6, 3.5, 3.4, 3.3, 3.2, 3.1, 3.0, 2.14, 2.13, 2.12, 2.11, 2.10

Baffling Recursive Algorithm for Isotope distributioN calculations

DOI: 10.18129/B9.bioc.BRAIN

Bioconductor version: Release (3.23)

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.

Author: Piotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen

Maintainer: Piotr Dittwald <piotr.dittwald at mimuw.edu.pl>

Citation (from within R, enter citation("BRAIN")):

Piotr Dittwald, with contributions of Dirk Valkenborg and Jurgen Claesen. BRAIN: Baffling Recursive Algorithm for Isotope distributioN calculations. doi:10.18129/B9.bioc.BRAIN, R package version 1.58.0, https://bioconductor.org/packages/BRAIN.

Generated from the package metadata; it may differ from the package's own citation.

Installation

To install this package, start R (version "4.6") and enter:

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

BiocManager::install("BRAIN")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("BRAIN")

Details

Package Archives

Follow Installation instructions to use this package in your R session.