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 Topic > Chemoinformatics
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6 projects in result set.
0. 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]
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Registered: 2012-10-01 20:42 |
1. qsaR in R - This project aims at building a flexible framework for working with QSAR in R.
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- Development Status : 5 - Production/Stable [Filter]
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- License : OSI Approved : BSD License [Filter]
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- Topic : Biostatistics & Medical Statistics [Filter]
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Registered: 2012-10-22 23:24 |
2. osc - Orthogonal signal correction methods for preprocessing spectroscopic data
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- Development Status : 1 - Planning [Filter]
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- Natural Language : Russian [Filter]
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- Topic : Chemoinformatics [Filter]
- Topic : Computational Physics [Filter]
- Topic : Multivariate Statistics : Matrix Manipulations [Filter]
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Registered: 2009-08-20 11:38 |
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) [Filter]
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- Topic : Chemoinformatics [Filter]
- Topic : Machine Learning : Model Selection and Validation [Filter]
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Registered: 2010-09-19 03:40 |
4. Cover tree for fast neighbor finding - Cover Trees for fast neighbor searching in metric spaces. A flexible interface for neighbor searching using any proximity function that is a metric.
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- Development Status : 2 - Pre-Alpha [Filter]
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- Topic : Chemoinformatics [Filter]
- Topic : Cluster Analysis [Filter]
- Topic : Machine Learning [Filter]
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Registered: 2007-12-06 13:22 |
5. fingerprint - Read and handle molecular fingerprint data generated by various cheminformatics tools. The package reads in a variety of formats and implements multiple similarity and dissimilarity metrics.
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- Development Status : 5 - Production/Stable [Filter]
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Registered: 2008-10-21 19:34 |
