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 Topic > Chemoinformatics
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3 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. 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 |
2. osc - Orthogonal signal correction methods for preprocessing spectroscopic data
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- Development Status : 1 - Planning [Filter]
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- Topic : Multivariate Statistics : Matrix Manipulations [Filter]
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Registered: 2009-08-20 11:38 |
