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 Topic > Chemoinformatics
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5 projects in result set.
0. QSAR Data Sets - Molecular descriptors and outcomes for several public domain data sets
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Registered: 2010-09-19 03:40 |
1. 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 |
2. chemosensors - This package introduces a software tool that allows for the design of synthetic experiments in machine olfaction.
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Registered: 2012-01-19 14:28 |
3. inspectr - Handling and analysis of Vis-NIR spectra, especially for soil science.
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Registered: 2011-06-08 03:22 |
4. 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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Registered: 2011-05-13 20:48 |
