schymane/RChemMass: Various Cheminformatic, Curation and Mass Spectrometry Functions
RChemMass combines many useful functions for manipulating structures, retrieving identifiers, calculating values etc. with a focus on functions relevant for non-target small molecule mass spectrometry (hence RChemMass = R+Cheminformatics+MassSpec). This builds on many functions authored by others - thank you to those who have contributed indirectly through their work and discussions! Function specific contributors are mentioned in the function documentation.
Getting started
Browse package contents
Package details |
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| Author | Emma Schymanski |
| Maintainer | Emma Schymanski <emma.schymanski@uni.lu> |
| License | Artistic-2.0 |
| Version | 0.1.28 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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