ChemoSpec statistics

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Citations per year

Number of citations per year for the bioinformatics software tool ChemoSpec

Tool usage distribution map

This map represents all the scientific publications referring to ChemoSpec per scientific context
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Associated diseases

This word cloud represents ChemoSpec usage per disease context

Popular tool citations

chevron_left NMR spectra visualization Data normalization Spectral correction Chemometric analysis Peak alignment Bucketing Statistical analysis Clustering/Classification chevron_right
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ChemoSpec specifications


Unique identifier OMICS_30273
Name ChemoSpec
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages R
License GNU General Public License version 3.0
Computer skills Advanced
Version 4.4.97
Stability Stable
stats, plyr, RColorBrewer, NbClust, grid, utils, grDevices, amap, lattice, knitr, gsubfn, MASS, mclust, R.utils, rgl, pls, robustbase, pcaPP, IDPmisc, jsonlite, seriation, sna, signal, R(≥3.1), clusterCrit, mvbutils, js, baseline, readJDX, speaq
Maintained Yes


No version available



  • person_outline Bryan Hanson

ChemoSpec citation


Non invasive urinary metabolomic profiling discriminates prostate cancer from benign prostatic hyperplasia

PMCID: 5533870
PMID: 28804274
DOI: 10.1007/s11306-017-1194-y
call_split See protocol

[…] he probabilistic quotient normalization method (PQN) (Dieterle et al. ). Finally, the resulting bucket table was transformed into a data matrix containing 0.01 ppm wide rectangular buckets using the “Chemospec” R package (Hanson ) to facilitate the statistical analysis. Fig. 1 Multivariate statistical analysis was carried out using SIMCA-P 12.0 (Umetrics AB). Before statistical analysis, data were […]

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