-
1
-
-
49449103313
-
A Brief History of Mass Spectrometry
-
Griffiths J. A Brief History of Mass Spectrometry. Analytical Chemistry 2008, 80(15).
-
(2008)
Analytical Chemistry
, vol.80
, Issue.15
-
-
Griffiths, J.1
-
2
-
-
84904034524
-
-
http://en.wikipedia.org/wiki/History_of_mass_spectrometry. http://en.wikipedia.org/wiki/History_of_mass_spectrometry.
-
-
-
-
3
-
-
84904034525
-
ESPRC National Mass Spectrometry Centre
-
Methodology for Accurate Mass Measurement of Small Molecules Best Practice Guide. Swansea UK. ISBN 0-948926-22-8
-
Webb K, Bristow T, Sargent M, Stein B and ESPRC National Mass Spectrometry Centre. Methodology for Accurate Mass Measurement of Small Molecules Best Practice Guide. Swansea UK. ISBN 0-948926-22-8.
-
-
-
Webb, K.1
Bristow, T.2
Sargent, M.3
Stein, B.4
-
5
-
-
33750719994
-
-
Global systems biology, personalized medicine and molecular epidemiology. Department of Biomolecular Medicine, Faculty of Medicine, Imperial College London, South Kensington, London, UK doi:10.1038/msb4100095
-
Nicholson J K. Molecular Systems Biology 2:52 Global systems biology, personalized medicine and molecular epidemiology. Department of Biomolecular Medicine, Faculty of Medicine, Imperial College London, South Kensington, London, UK doi:10.1038/msb4100095.
-
Molecular Systems Biology
, vol.2
, pp. 52
-
-
Nicholson, J.K.1
-
6
-
-
20544466649
-
Metabonomics in Toxicology: A Review 1
-
10.1093/toxsci/kfi102.
-
Robertson D.G. Metabonomics in Toxicology: A Review 1. Toxicological Sciences 2005, 85:809-822. 10.1093/toxsci/kfi102.
-
(2005)
Toxicological Sciences
, vol.85
, pp. 809-822
-
-
Robertson, D.G.1
-
7
-
-
84904034516
-
-
http://tools.proteomecenter.org/wiki/index.php?title=Formats:mzXML. http://tools.proteomecenter.org/wiki/index.php?title=Formats:mzXML.
-
-
-
-
8
-
-
84904034509
-
-
http://en.wikipedia.org/wiki/Mass-spectrometry_data_format. http://en.wikipedia.org/wiki/Mass-spectrometry_data_format.
-
-
-
-
9
-
-
8344284323
-
A common open representation of mass spectrometry data and its application to proteomics research
-
Pedrioli P.G., Eng J.K., Hubley R., et al. A common open representation of mass spectrometry data and its application to proteomics research. Nat Biotechnol 2004, 22(11):1459-1466.
-
(2004)
Nat Biotechnol
, vol.22
, Issue.11
, pp. 1459-1466
-
-
Pedrioli, P.G.1
Eng, J.K.2
Hubley, R.3
-
10
-
-
48949104656
-
MzML: A single, unifying data format for mass spectrometer output
-
Deutsch E.W. mzML: A single, unifying data format for mass spectrometer output. Proteomics 2008, 8(14):2776-2777.
-
(2008)
Proteomics
, vol.8
, Issue.14
, pp. 2776-2777
-
-
Deutsch, E.W.1
-
11
-
-
84904034510
-
-
http://www.psidev.info/index.php?q=node/257. http://www.psidev.info/index.php?q=node/257.
-
-
-
-
12
-
-
84904034511
-
-
JCAMP-DX V. 6.00 for chromatography and mass spectrometry hyphenated methods (IUPAC Technical Note 2005)
-
Hau J, Lampen P, Lancashire RJ, et al. JCAMP-DX V. 6.00 for chromatography and mass spectrometry hyphenated methods (IUPAC Technical Note 2005).
-
-
-
Hau, J.1
Lampen, P.2
Lancashire, R.J.3
-
13
-
-
0009007918
-
-
ASTM E1947-98 Standard Specification for Analytical Data Interchange Protocol for Chromatographic Data DOI: 10.1520/E1947-98R09.
-
ASTM E1947-98(2009) Standard Specification for Analytical Data Interchange Protocol for Chromatographic Data DOI: 10.1520/E1947-98R09.
-
(2009)
-
-
-
14
-
-
84904034513
-
-
R Development Core Team. R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing Vienna, Austria 2011 ISBN 3-900051-07-0
-
R Development Core Team. R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing Vienna, Austria 2011 ISBN 3-900051-07-0 http://www.R-project.org. http://www.R-project.org.
-
-
-
-
15
-
-
28744458859
-
Bioconductor: Open software development for computational biology and bioinformatics
-
Gentleman R., Carey V.J., Bates D.M., et al. Bioconductor: Open software development for computational biology and bioinformatics. Genome Biology 2004, 5:R80.
-
(2004)
Genome Biology
, vol.5
-
-
Gentleman, R.1
Carey, V.J.2
Bates, D.M.3
-
16
-
-
84904034514
-
-
Department of Stress and Developmental Biology, Bioinformatics, Friedrich-Schiller-University Jena, April 22
-
Neumann S., Pervukhin A., Bocker S. Mass decomposition with the Rdisop package. Leibniz Institute of Plant Biochemistry 2010, Department of Stress and Developmental Biology, Bioinformatics, Friedrich-Schiller-University Jena, April 22,.
-
(2010)
Mass decomposition with the Rdisop package. Leibniz Institute of Plant Biochemistry
-
-
Neumann, S.1
Pervukhin, A.2
Bocker, S.3
-
17
-
-
58349086772
-
SIRIUS: Decomposing isotope patterns for metabolite identification
-
Bocker S., Letzel M., Liptak Z., Pervukhin A. SIRIUS: Decomposing isotope patterns for metabolite identification. Bioinformatics 2009, 25(2):218-224.
-
(2009)
Bioinformatics
, vol.25
, Issue.2
, pp. 218-224
-
-
Bocker, S.1
Letzel, M.2
Liptak, Z.3
Pervukhin, A.4
-
18
-
-
60649089559
-
-
Highly sensitive feature detection for high resolution LC/MS, BMC Bioinformatics
-
Tautenhahn R., Bottcher C. Neumann S 2008, Highly sensitive feature detection for high resolution LC/MS, BMC Bioinformatics.
-
(2008)
Neumann S
-
-
Tautenhahn, R.1
Bottcher, C.2
-
19
-
-
32444446805
-
-
XCMS, Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification. Analytical Chemistry
-
Smith C.A., Want E.J., Tong G.C. Abagyan R and Siuzdak G 2006, XCMS, Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification. Analytical Chemistry.
-
(2006)
Abagyan R and Siuzdak G
-
-
Smith, C.A.1
Want, E.J.2
Tong, G.C.3
-
20
-
-
84904034507
-
Metltn XCMS: Global metabolite profiling incorporating LC/MS filtering, peak detection, and novel nonlinear retention time alignment with open-source software
-
June San Antonio, Texas
-
Smith C.A., Want E.J., Tong G.C., et al. Metltn XCMS: Global metabolite profiling incorporating LC/MS filtering, peak detection, and novel nonlinear retention time alignment with open-source software. 53rd ASMS Conference on Mass Spectrometry June 2005, San Antonio, Texas.
-
(2005)
53rd ASMS Conference on Mass Spectrometry
-
-
Smith, C.A.1
Want, E.J.2
Tong, G.C.3
-
21
-
-
50049096775
-
XCMS2: Processing Tandem Mass Spectrometry Data for Metabolite Identification and Structural Characterization
-
Benton H.P., Wong D.M., Trager S.A., Siuzdak G. XCMS2: Processing Tandem Mass Spectrometry Data for Metabolite Identification and Structural Characterization. Analytical Chemistry 2008.
-
(2008)
Analytical Chemistry
-
-
Benton, H.P.1
Wong, D.M.2
Trager, S.A.3
Siuzdak, G.4
-
22
-
-
84904034508
-
-
www.neoscientists.org. http://www.neoscientists.org.
-
-
-
-
23
-
-
84904034505
-
-
http://metlin.scripps.edu/xcms/faq.php. http://metlin.scripps.edu/xcms/faq.php.
-
-
-
-
24
-
-
77954772536
-
MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
-
Pluskal T., Castillo S., Villar-Briones A., Oresic M. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinformatics 2010, 11:395.
-
(2010)
BMC Bioinformatics
, vol.11
, pp. 395
-
-
Pluskal, T.1
Castillo, S.2
Villar-Briones, A.3
Oresic, M.4
-
25
-
-
33644867564
-
MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data
-
Katajamaa M., Miettinen J., Oresic M. MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics 2006, 22:634-636.
-
(2006)
Bioinformatics
, vol.22
, pp. 634-636
-
-
Katajamaa, M.1
Miettinen, J.2
Oresic, M.3
-
26
-
-
25444526868
-
Processing methods for differential analysis of LC/MS profile data
-
Katajamaa M., Orešič M. Processing methods for differential analysis of LC/MS profile data. BMC Bioinformatics 2005, 6:179.
-
(2005)
BMC Bioinformatics
, vol.6
, pp. 179
-
-
Katajamaa, M.1
Orešič, M.2
-
27
-
-
84904034500
-
-
http://sjsupport.thermofinnigan.com/public/detail.asp?id=586. http://sjsupport.thermofinnigan.com/public/detail.asp?id=586.
-
-
-
-
28
-
-
0019574599
-
981. Random sample consensus: a paradigm for model fitting with applications to image analysis and automated cartography
-
10.1145/358669.358692
-
Fischler M.A., Bolles R.C. 981. Random sample consensus: a paradigm for model fitting with applications to image analysis and automated cartography. Commun ACM 1981, 24(6):381-395. http://doi.acm.org/10.1145/358669.358692, 10.1145/358669.358692.
-
(1981)
Commun ACM
, vol.24
, Issue.6
, pp. 381-395
-
-
Fischler, M.A.1
Bolles, R.C.2
-
29
-
-
29244452132
-
Sign constraints improve the detection of differences between complex spectral data sets: LC-IR as an example
-
Boelens H.F.M., Eilers P.H.C., Hankemeier T. Sign constraints improve the detection of differences between complex spectral data sets: LC-IR as an example. Analytical Chemistry 2005, 77:7998-8007.
-
(2005)
Analytical Chemistry
, vol.77
, pp. 7998-8007
-
-
Boelens, H.F.M.1
Eilers, P.H.C.2
Hankemeier, T.3
-
30
-
-
84904034501
-
-
http://chemdata.nist.gov/mass-spc/ms-search/. http://chemdata.nist.gov/mass-spc/ms-search/.
-
-
-
-
31
-
-
84904034502
-
-
http://www.inf.uni-konstanz.de/bioml2/publications/Papers2007/BCDG+07_. http://www.inf.uni-konstanz.de/bioml2/publications/Papers2007/BCDG+07_knime_gfkl.pdf.
-
-
-
-
32
-
-
84904034503
-
-
http://www.knime.org/. http://www.knime.org/.
-
-
-
-
33
-
-
84904034504
-
-
http://www.eclipse.org/. http://www.eclipse.org/.
-
-
-
-
34
-
-
9944247186
-
Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm)
-
Eriksson L., Antti H., Gottfries J., et al. Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm). Analytical and Bioanalytical Chemistry 2004, 380(3).
-
(2004)
Analytical and Bioanalytical Chemistry
, vol.380
, Issue.3
-
-
Eriksson, L.1
Antti, H.2
Gottfries, J.3
-
35
-
-
78650666244
-
The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping
-
Fonville J.M., Richards S.E., Barton R.H., et al. The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping. J Chemometrics 2010, 24:636-649.
-
(2010)
J Chemometrics
, vol.24
, pp. 636-649
-
-
Fonville, J.M.1
Richards, S.E.2
Barton, R.H.3
-
36
-
-
0036083139
-
Orthogonal Projections to Latent structures (O-PLS)
-
Trygg J., Wold S. Orthogonal Projections to Latent structures (O-PLS). J Chemometrics 2002, 16:119-128.
-
(2002)
J Chemometrics
, vol.16
, pp. 119-128
-
-
Trygg, J.1
Wold, S.2
-
37
-
-
34249335649
-
OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification
-
Bylesjo M., Rantalainen M., Cloarec O., et al. OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification. J Chemometrics 2006, 20:341-351.
-
(2006)
J Chemometrics
, vol.20
, pp. 341-351
-
-
Bylesjo, M.1
Rantalainen, M.2
Cloarec, O.3
-
38
-
-
42149172522
-
K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space (2008)
-
Bylesjo M., Rantalainen M., Nicholson J.K., et al. K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space (2008). BMC Bioinformatics 2008, 9:106.
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 106
-
-
Bylesjo, M.1
Rantalainen, M.2
Nicholson, J.K.3
-
40
-
-
64249171169
-
-
Taylor & Francis - CRC Press, Boca Raton, FL, ISBN: 978-1420059472
-
Varmuza K., Filzmoser P. Introduction to Multivariate Statistical Analysis in Chemometrics 2009, Taylor & Francis - CRC Press, Boca Raton, FL, ISBN: 978-1420059472.
-
(2009)
Introduction to Multivariate Statistical Analysis in Chemometrics
-
-
Varmuza, K.1
Filzmoser, P.2
-
41
-
-
33846829987
-
The pls Package: Principal Component and Partial Least Squares Regression in R
-
Mevik B.-H., Wehrens R. The pls Package: Principal Component and Partial Least Squares Regression in R. Journal of Statistical Software 2007, 18(2):1-24.
-
(2007)
Journal of Statistical Software
, vol.18
, Issue.2
, pp. 1-24
-
-
Mevik, B.-H.1
Wehrens, R.2
-
42
-
-
34249847958
-
PcaMethods - a bioconductor package providing PCA methods for incomplete data
-
Epub 2007 Mar 7.
-
Stacklies W., Redestig H., Scholz M., Walther D., Selbig J. pcaMethods - a bioconductor package providing PCA methods for incomplete data. Bioinformatics 2007, 23(9):1164-1167. Epub 2007 Mar 7.
-
(2007)
Bioinformatics
, vol.23
, Issue.9
, pp. 1164-1167
-
-
Stacklies, W.1
Redestig, H.2
Scholz, M.3
Walther, D.4
Selbig, J.5
-
43
-
-
84904034496
-
-
Umetrics AB No. 10204646 filed on 22 February
-
Trygg J, Wold S. Umetrics AB No. 10204646 filed on 22 February 2001.
-
(2001)
-
-
Trygg, J.1
Wold, S.2
-
44
-
-
84904034497
-
-
OPLS Trademark 78448988 Registration Number: 3301655 Filing Date: 12 July
-
OPLS Trademark 78448988 Registration Number: 3301655 Filing Date: 12 July 2004.
-
(2004)
-
-
-
48
-
-
67650388499
-
TOPPView: An Open-Source Viewer for Mass Spectrometry Data
-
Sturm M., Kohlbacher O. TOPPView: An Open-Source Viewer for Mass Spectrometry Data. J Proteome Res 2009, 8(7):3760-3763.
-
(2009)
J Proteome Res
, vol.8
, Issue.7
, pp. 3760-3763
-
-
Sturm, M.1
Kohlbacher, O.2
-
49
-
-
84904034499
-
-
http://www-bs2.informatik.uni-tuebingen.de/services/OpenMS/OpenMS-release/TOPP_tutorial.pdf. http://www-bs2.informatik.uni-tuebingen.de/services/OpenMS/OpenMS-release/TOPP_tutorial.pdf.
-
-
-
-
50
-
-
79551587720
-
Cytoscape 2.8: new features for data integration and network visualization
-
Epub 2010 Dec 12.
-
Smoot M.E., Ono K., Ruscheinski J., Wang P.L., Ideker T. Cytoscape 2.8: new features for data integration and network visualization. Bioinformatics 2011, 27(3):431-432. Epub 2010 Dec 12.
-
(2011)
Bioinformatics
, vol.27
, Issue.3
, pp. 431-432
-
-
Smoot, M.E.1
Ono, K.2
Ruscheinski, J.3
Wang, P.L.4
Ideker, T.5
-
51
-
-
84904034489
-
-
http://www.cytoscape.org/. http://www.cytoscape.org/.
-
-
-
-
52
-
-
84904034490
-
-
http://cytoscape.wodaklab.org/wiki/CytoscapeRetreat2008/UserTutorial. http://cytoscape.wodaklab.org/wiki/CytoscapeRetreat2008/UserTutorial.
-
-
-
-
53
-
-
84904034491
-
-
http://www.ondex.org/. http://www.ondex.org/.
-
-
-
-
54
-
-
84904034492
-
-
http://www.educ.umu.se/~cobian/cobianbackup.htm. http://www.educ.umu.se/~cobian/cobianbackup.htm.
-
-
-
-
55
-
-
78649695759
-
Metabolomic Analysis and Visualization Engine for LC?MS Data
-
Melamud E., Vastag L., Rabinowitz J.D. Metabolomic Analysis and Visualization Engine for LC?MS Data. Analytical Chemistry 2010, 82(23):9818-9826.
-
(2010)
Analytical Chemistry
, vol.82
, Issue.23
, pp. 9818-9826
-
-
Melamud, E.1
Vastag, L.2
Rabinowitz, J.D.3
-
56
-
-
71749118213
-
A novel R-package graphic user interface for the analysis of metabonomic profiles
-
10.1186/1471-2105-10-363.
-
Izquierdo-Garcia J.L., Rodriguez I., Kyriazis A., et al. A novel R-package graphic user interface for the analysis of metabonomic profiles. BMC Bioinformatics 2009, 10:363. 10.1186/1471-2105-10-363.
-
(2009)
BMC Bioinformatics
, vol.10
, pp. 363
-
-
Izquierdo-Garcia, J.L.1
Rodriguez, I.2
Kyriazis, A.3
-
57
-
-
64549138422
-
Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis
-
10.1186/1471-2105-10-83.
-
Wang T., Shao K., Chu Q., et al. Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis. BMC Bioinformatics 2009, 10:83. 10.1186/1471-2105-10-83.
-
(2009)
BMC Bioinformatics
, vol.10
, pp. 83
-
-
Wang, T.1
Shao, K.2
Chu, Q.3
-
58
-
-
84904034493
-
-
http://www.stat.uni-muenchen.de~leisch/Sweave/. http://www.stat.uni-muenchen.de/~leisch/Sweave/.
-
-
-
-
59
-
-
84904034494
-
-
http://reproducibleresearch.net/index.php/RR_links. http://reproducibleresearch.net/index.php/RR_links.
-
-
-
-
60
-
-
84904034495
-
-
http://journal.r-project.org/archive/2010-1/RJournal_2010-1_Thioulouse~et~al.pdf. http://www.journal.r-project.org/archive/2010-1/RJournal_2010-1_Thioulouse~et~al.pdf.
-
-
-
-
61
-
-
84904034486
-
-
https://xcmsonline.scripps.edu/. https://xcmsonline.scripps.edu/.
-
-
-
-
62
-
-
84904034487
-
-
http://rattle.togaware.com/. http://rattle.togaware.com/.
-
-
-
-
63
-
-
84904034488
-
Rattle: A Data Mining GUI for R
-
1/2. ISSN
-
Williams G.J. Rattle: A Data Mining GUI for R. The R Journal 2009, 2073-4859. 1/2. ISSN.
-
(2009)
The R Journal
, pp. 2073-4859
-
-
Williams, G.J.1
-
64
-
-
84904034479
-
-
http://www.ggobi.org/. http://www.ggobi.org/.
-
-
-
|