MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics

Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of vari...
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Autor*in:	Liu, Youzhong [verfasserIn] Smirnov, Kirill Lucio, Marianna Gougeon, Régis D. Alexandre, Hervé Schmitt-Kopplin, Philippe

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2016

Schlagwörter:	Independent Component Analysis Independent Component Analysis Algorithm Algorithm Input Independent Component Analysis Method FastICA Algorithm

Anmerkung:	© Liu et al. 2016

Übergeordnetes Werk:	Enthalten in: BMC bioinformatics - London : BioMed Central, 2000, 17(2016), 1 vom: 02. März
Übergeordnetes Werk:	volume:17 ; year:2016 ; number:1 ; day:02 ; month:03

Links:	Volltext

DOI / URN:	10.1186/s12859-016-0970-4

Katalog-ID:	SPR026906686

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520			\|a Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA.
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allfields	10.1186/s12859-016-0970-4 doi (DE-627)SPR026906686 (SPR)s12859-016-0970-4-e DE-627 ger DE-627 rakwb eng Liu, Youzhong verfasserin aut MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Liu et al. 2016 Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213 Smirnov, Kirill aut Lucio, Marianna aut Gougeon, Régis D. aut Alexandre, Hervé aut Schmitt-Kopplin, Philippe aut Enthalten in BMC bioinformatics London : BioMed Central, 2000 17(2016), 1 vom: 02. März (DE-627)326644814 (DE-600)2041484-5 1471-2105 nnns volume:17 year:2016 number:1 day:02 month:03 https://dx.doi.org/10.1186/s12859-016-0970-4 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2113 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2016 1 02 03
spelling	10.1186/s12859-016-0970-4 doi (DE-627)SPR026906686 (SPR)s12859-016-0970-4-e DE-627 ger DE-627 rakwb eng Liu, Youzhong verfasserin aut MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Liu et al. 2016 Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213 Smirnov, Kirill aut Lucio, Marianna aut Gougeon, Régis D. aut Alexandre, Hervé aut Schmitt-Kopplin, Philippe aut Enthalten in BMC bioinformatics London : BioMed Central, 2000 17(2016), 1 vom: 02. März (DE-627)326644814 (DE-600)2041484-5 1471-2105 nnns volume:17 year:2016 number:1 day:02 month:03 https://dx.doi.org/10.1186/s12859-016-0970-4 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2113 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2016 1 02 03
allfields_unstemmed	10.1186/s12859-016-0970-4 doi (DE-627)SPR026906686 (SPR)s12859-016-0970-4-e DE-627 ger DE-627 rakwb eng Liu, Youzhong verfasserin aut MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Liu et al. 2016 Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213 Smirnov, Kirill aut Lucio, Marianna aut Gougeon, Régis D. aut Alexandre, Hervé aut Schmitt-Kopplin, Philippe aut Enthalten in BMC bioinformatics London : BioMed Central, 2000 17(2016), 1 vom: 02. März (DE-627)326644814 (DE-600)2041484-5 1471-2105 nnns volume:17 year:2016 number:1 day:02 month:03 https://dx.doi.org/10.1186/s12859-016-0970-4 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2113 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2016 1 02 03
allfieldsGer	10.1186/s12859-016-0970-4 doi (DE-627)SPR026906686 (SPR)s12859-016-0970-4-e DE-627 ger DE-627 rakwb eng Liu, Youzhong verfasserin aut MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Liu et al. 2016 Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213 Smirnov, Kirill aut Lucio, Marianna aut Gougeon, Régis D. aut Alexandre, Hervé aut Schmitt-Kopplin, Philippe aut Enthalten in BMC bioinformatics London : BioMed Central, 2000 17(2016), 1 vom: 02. März (DE-627)326644814 (DE-600)2041484-5 1471-2105 nnns volume:17 year:2016 number:1 day:02 month:03 https://dx.doi.org/10.1186/s12859-016-0970-4 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2113 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2016 1 02 03
allfieldsSound	10.1186/s12859-016-0970-4 doi (DE-627)SPR026906686 (SPR)s12859-016-0970-4-e DE-627 ger DE-627 rakwb eng Liu, Youzhong verfasserin aut MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics 2016 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Liu et al. 2016 Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213 Smirnov, Kirill aut Lucio, Marianna aut Gougeon, Régis D. aut Alexandre, Hervé aut Schmitt-Kopplin, Philippe aut Enthalten in BMC bioinformatics London : BioMed Central, 2000 17(2016), 1 vom: 02. März (DE-627)326644814 (DE-600)2041484-5 1471-2105 nnns volume:17 year:2016 number:1 day:02 month:03 https://dx.doi.org/10.1186/s12859-016-0970-4 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER SSG-OLC-PHA GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_206 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2031 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2061 GBV_ILN_2111 GBV_ILN_2113 GBV_ILN_2190 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 17 2016 1 02 03
language	English
source	Enthalten in BMC bioinformatics 17(2016), 1 vom: 02. März volume:17 year:2016 number:1 day:02 month:03
sourceStr	Enthalten in BMC bioinformatics 17(2016), 1 vom: 02. März volume:17 year:2016 number:1 day:02 month:03
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Independent Component Analysis Independent Component Analysis Algorithm Algorithm Input Independent Component Analysis Method FastICA Algorithm
isfreeaccess_bool	true
container_title	BMC bioinformatics
authorswithroles_txt_mv	Liu, Youzhong @@aut@@ Smirnov, Kirill @@aut@@ Lucio, Marianna @@aut@@ Gougeon, Régis D. @@aut@@ Alexandre, Hervé @@aut@@ Schmitt-Kopplin, Philippe @@aut@@
publishDateDaySort_date	2016-03-02T00:00:00Z
hierarchy_top_id	326644814
id	SPR026906686
language_de	englisch
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Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. 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author	Liu, Youzhong
spellingShingle	Liu, Youzhong misc Independent Component Analysis misc Independent Component Analysis Algorithm misc Algorithm Input misc Independent Component Analysis Method misc FastICA Algorithm MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
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topic_title	MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics Independent Component Analysis (dpeaa)DE-He213 Independent Component Analysis Algorithm (dpeaa)DE-He213 Algorithm Input (dpeaa)DE-He213 Independent Component Analysis Method (dpeaa)DE-He213 FastICA Algorithm (dpeaa)DE-He213
topic	misc Independent Component Analysis misc Independent Component Analysis Algorithm misc Algorithm Input misc Independent Component Analysis Method misc FastICA Algorithm
topic_unstemmed	misc Independent Component Analysis misc Independent Component Analysis Algorithm misc Algorithm Input misc Independent Component Analysis Method misc FastICA Algorithm
topic_browse	misc Independent Component Analysis misc Independent Component Analysis Algorithm misc Algorithm Input misc Independent Component Analysis Method misc FastICA Algorithm
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title	MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
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title_full	MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
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author_browse	Liu, Youzhong Smirnov, Kirill Lucio, Marianna Gougeon, Régis D. Alexandre, Hervé Schmitt-Kopplin, Philippe
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title_sort	metica: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
title_auth	MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
abstract	Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. © Liu et al. 2016
abstractGer	Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. © Liu et al. 2016
abstract_unstemmed	Background Interpreting non-targeted metabolomics data remains a challenging task. Signals from non-targeted metabolomics studies stem from a combination of biological causes, complex interactions between them and experimental bias/noise. The resulting data matrix usually contain huge number of variables and only few samples, and classical techniques using nonlinear mapping could result in computational complexity and overfitting. Independent Component Analysis (ICA) as a linear method could potentially bring more meaningful results than Principal Component Analysis (PCA). However, a major problem with most ICA algorithms is the output variations between different runs and the result of a single ICA run should be interpreted with reserve. Results ICA was applied to simulated and experimental mass spectrometry (MS)-based non-targeted metabolomics data, under the hypothesis that underlying sources are mutually independent. Inspired from the Icasso algorithm, a new ICA method, MetICA was developed to handle the instability of ICA on complex datasets. Like the original Icasso algorithm, MetICA evaluated the algorithmic and statistical reliability of ICA runs. In addition, MetICA suggests two ways to select the optimal number of model components and gives an order of interpretation for the components obtained. Conclusions Correlating the components obtained with prior biological knowledge allows understanding how non-targeted metabolomics data reflect biological nature and technical phenomena. We could also extract mass signals related to this information. This novel approach provides meaningful components due to their independent nature. Furthermore, it provides an innovative concept on which to base model selection: that of optimizing the number of reliable components instead of trying to fit the data. The current version of MetICA is available at https://github.com/daniellyz/MetICA. © Liu et al. 2016
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title_short	MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics
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author2	Smirnov, Kirill Lucio, Marianna Gougeon, Régis D. Alexandre, Hervé Schmitt-Kopplin, Philippe
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MetICA: independent component analysis for high-resolution mass-spectrometry based non-targeted metabolomics

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