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 Topic > Chemoinformatics
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6 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.
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- Development Status : 4 - Beta [Filter]
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- License : OSI Approved : GNU General Public License (GPL) (Now Filtering)
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Activity Percentile: 50.00
Registered: 2011-05-13 20:48 |
1. Toolbox for chemoinformatics - Basic tools for chemoinformatics, including manipulations with chemical structures, reading/writing files, computing descriptors, building SAR/QSAR/QSPR models, predicting properties of chemical compounds, etc.
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- Development Status : 2 - Pre-Alpha [Filter]
- Environment : Console (Text Based) [Filter]
- Environment : Win32 (MS Windows) [Filter]
- Intended Audience : Developers [Filter]
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- License : OSI Approved : GNU General Public License (GPL) (Now Filtering)
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Activity Percentile: 0.00
Registered: 2012-10-01 20:42 |
2. inspectr - Handling and analysis of Vis-NIR spectra, especially for soil science.
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- Development Status : 4 - Beta [Filter]
- Environment : Console (Text Based) [Filter]
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- License : OSI Approved : GNU General Public License (GPL) (Now Filtering)
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- Programming Language : R [Filter]
- Topic : Chemoinformatics [Filter]
- Topic : Environmetrics [Filter]
- Topic : Multivariate Statistics [Filter]
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Activity Percentile: 0.00
Registered: 2011-06-08 03:22 |
3. QSAR Data Sets - Molecular descriptors and outcomes for several public domain data sets
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- Development Status : 4 - Beta [Filter]
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- License : OSI Approved : GNU General Public License (GPL) (Now Filtering)
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- Programming Language : R [Filter]
- Topic : Chemoinformatics [Filter]
- Topic : Machine Learning : Model Selection and Validation [Filter]
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Activity Percentile: 0.00
Registered: 2010-09-19 03:40 |
4. chemosensors - This package introduces a software tool that allows for the design of synthetic experiments in machine olfaction.
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- Development Status : 4 - Beta [Filter]
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- Topic : Machine Learning [Filter]
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Registered: 2012-01-19 14:28 |
5. seacarb - seacarb is an R package that calculates various parameters of the carbonate system in seawater. The package is available on CRAN and it is used in several large international programs like EUROTHROPH, CARBOOCEAN and EPOCA.
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- Development Status : 6 - Mature [Filter]
- Environment : Console (Text Based) [Filter]
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Activity Percentile: 0.00
Registered: 2008-12-24 09:50 |
