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http://csbg.cnb.csic.es/mbrole/
Software program for overrepresentation (enrichment) analysis of categorical annotations for a set of compounds. These categorical annotations correspond to biological and chemical information found in public databases and software. Annotations can be biological (pathways, enzyme interactions, pharmacological action) or chemical (taxonomy and chemical groups).
Proper citation: MBRole (RRID:SCR_014684) Copy
http://umetrics.com/products/simca
A company that provides data analysis software with features such as multivariate tools, data mining, process modeling and interactive graphics.
Proper citation: SIMCA (RRID:SCR_014688) Copy
http://stat.ethz.ch/R-manual/R-patched/library/stats/html/hclust.html
R documentation for hierarchical cluster analysis on a set of dissimilarities for n objects. Each object is assigned to its own cluster, which an algorithm proceeds through iteratively. Two of the most similar clusters are joined at each stage until there is a single cluster. Distances between clusters are recomputed at each stage by the Lance–Williams dissimilarity update formula according to the particular clustering method being used. Clustering methods include: Ward's minimum variance method, complete linkage method, and single linkage method.
Proper citation: Hierarchical Clustering (RRID:SCR_014673) Copy
http://www.acdlabs.com/resources/freeware/nmr_proc/
THIS RESOURCE IS NO LONGER IN SERVICE, documented September 27, 2016. A software package that provides 1D and 2D NMR tools as well as processing and interpretation for all other major analytical techniques (LC/MS, IR, Raman, and more) in one package. It also has support for structure verification and multiplet reports.
Proper citation: ACD/ NMR Processor (RRID:SCR_014679) Copy
http://metap.helmholtz-muenchen.de/metap2/
THIS RESOURCE IS NO LONGER IN SERVICE. Documented on April 5,2023. Software tool for processing in metabolomics experiments., THIS RESOURCE IS NO LONGER IN SERVICE. Documented on September 16,2025.
Proper citation: MetaP (RRID:SCR_014686) Copy
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