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Topic > Chemoinformatics |
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7 projects in result set.
0. 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. |
- Development Status : 4 - Beta (Now Filtering)
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Activity Percentile: 66.67
Registered: 2011-05-13 20:48 |
1. chemosensors - This package introduces a software tool that allows for the design of synthetic experiments in machine olfaction. |
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- Topic : Machine Learning [Filter]
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Registered: 2012-01-19 14:28 |
2. inspectr - Handling and analysis of Vis-NIR spectra, especially for soil science. |
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- Environment : Console (Text Based) [Filter]
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- Topic : Environmetrics [Filter]
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Registered: 2011-06-08 03:22 |
3. 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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- Topic : Biostatistics & Medical Statistics [Filter]
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Registered: 2009-02-23 09:27 |
4. QSAR Data Sets - Molecular descriptors and outcomes for several public domain data sets |
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- Topic : Machine Learning : Model Selection and Validation [Filter]
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Registered: 2010-09-19 03:40 |
5. 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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Registered: 2009-04-28 20:04 |
6. Test for point containment in polyhedron - This project provides a function to test whether a point is contained within a closed three-dimensional polyhedron, defined by a triangular mesh. A two-dimensional version for polygons is also provided. |
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Registered: 2010-04-25 17:27 |