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Topic > Chemoinformatics |
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3 projects in result set.
0. OrgMassSpecR: Organic Mass Spectrometry - Organic/biological mass spectrometry data analysis. The development version of OrgMassSpecR is on GitHub (https://github.com/OrgMassSpec) and the stable version is on CRAN (https://cran.r-project.org/). The R-Forge repository is an archive. | |
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Activity Percentile: 0.00 Registered: 2009-04-28 20:04 |
1. CHNOSZ - A package for thermodynamic modeling in geochemistry and biochemistry,
with functions for equilibrium activity diagrams and chemical affinities of reactions,
supported by an extensive thermodynamic database and group additivity for proteins. | |
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Activity Percentile: 0.00 Registered: 2011-05-13 20:48 |
2. hyperSpec - hyperSpec is a R package to handle hyperspectral data, i.e. spectra plus further information such as spatial location, time, concentrations, etc.
Such data are frequently encountered in Raman, IR, NIR, UV/VIS, NMR, mass spectroscopy, AAS / AES, ... | |
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Activity Percentile: 0.00 Registered: 2009-02-23 09:27 |