Data mining and visualization: general discussion

Carlos Afonso; Mark P. Barrow; Anthony N. Davies; Marc-André Delsuc; Timothy Ebbels; Francisco-Fernandez Lima; Caroline Gauchotte-Lindsay; Pierre Giusti; Royston Goodacre; Norbert Hertkorn; Jeroen J. Jansen; Donald Jones; William Kew; Stefan Kuhn; Adrien Le Guennec; Anneke Lubben; John Parkinson; Ljiljana Paša-Tolić; Simon Rogers; Timothy R. Rudd; Peter J. Schoenmakers; Philip Sidebottom; Stephen Summerfield; Gerjen H. Tinnevelt; Gianluca Trifirò; Johan Trygg; Justin J. J. van der Hooft

doi:10.1039/C9FD90044F

Data mining and visualization: general discussion

Carlos Afonso, Mark P. Barrow, Anthony N. Davies, Marc-André Delsuc, Timothy Ebbels, Francisco-Fernandez Lima, Caroline Gauchotte-Lindsay, Pierre Giusti, Royston Goodacre, Norbert Hertkorn, Jeroen J. Jansen, Donald Jones, William Kew, Stefan Kuhn, Adrien Le Guennec, Anneke Lubben, John Parkinson, Ljiljana Paša-Tolić, Simon Rogers, Timothy R. RuddPeter J. Schoenmakers, Philip Sidebottom, Stephen Summerfield, Gerjen H. Tinnevelt, Gianluca Trifirò, Johan Trygg, Justin J. J. van der Hooft

Pure And Applied Chemistry

Research output: Contribution to journal › Comment/debate › peer-review

3 Citations (Scopus)

Abstract

Gianluca Trifirò opened discussion of the paper by Johan Trygg: With regard to the multivariate analysis of data with different sizes, structures and sources, could the kind of transformation on the raw data affect the final distribution, possibly misleading the interpretation of the correlation matrix? Also, how much do the outliers weigh on the entire multiblock analysis?

Original language	English
Pages (from-to)	354-371
Number of pages	18
Journal	Faraday Discussions
Volume	218
DOIs	https://doi.org/10.1039/C9FD90044F
Publication status	Published - 2 Aug 2019

Keywords

data processing
data mining
data visualisation

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10.1039/C9FD90044F

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Afonso, C., Barrow, M. P., Davies, A. N., Delsuc, M.-A., Ebbels, T., Lima, F.-F., Gauchotte-Lindsay, C., Giusti, P., Goodacre, R., Hertkorn, N., Jansen, J. J., Jones, D., Kew, W., Kuhn, S., Le Guennec, A., Lubben, A., Parkinson, J., Paša-Tolić, L., Rogers, S., ... van der Hooft, J. J. J. (2019). Data mining and visualization: general discussion. Faraday Discussions, 218, 354-371. https://doi.org/10.1039/C9FD90044F

@article{1150dad6d3c54f7a87852e2c3ded2316,

title = "Data mining and visualization: general discussion",

abstract = "Gianluca Trifir{\`o} opened discussion of the paper by Johan Trygg: With regard to the multivariate analysis of data with different sizes, structures and sources, could the kind of transformation on the raw data affect the final distribution, possibly misleading the interpretation of the correlation matrix? Also, how much do the outliers weigh on the entire multiblock analysis?",

keywords = "data processing, data mining, data visualisation",

author = "Carlos Afonso and Barrow, {Mark P.} and Davies, {Anthony N.} and Marc-Andr{\'e} Delsuc and Timothy Ebbels and Francisco-Fernandez Lima and Caroline Gauchotte-Lindsay and Pierre Giusti and Royston Goodacre and Norbert Hertkorn and Jansen, {Jeroen J.} and Donald Jones and William Kew and Stefan Kuhn and {Le Guennec}, Adrien and Anneke Lubben and John Parkinson and Ljiljana Pa{\v s}a-Toli{\'c} and Simon Rogers and Rudd, {Timothy R.} and Schoenmakers, {Peter J.} and Philip Sidebottom and Stephen Summerfield and Tinnevelt, {Gerjen H.} and Gianluca Trifir{\`o} and Johan Trygg and {van der Hooft}, {Justin J. J.}",

year = "2019",

month = aug,

day = "2",

doi = "10.1039/C9FD90044F",

language = "English",

volume = "218",

pages = "354--371",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Afonso, C, Barrow, MP, Davies, AN, Delsuc, M-A, Ebbels, T, Lima, F-F, Gauchotte-Lindsay, C, Giusti, P, Goodacre, R, Hertkorn, N, Jansen, JJ, Jones, D, Kew, W, Kuhn, S, Le Guennec, A, Lubben, A, Parkinson, J, Paša-Tolić, L, Rogers, S, Rudd, TR, Schoenmakers, PJ, Sidebottom, P, Summerfield, S, Tinnevelt, GH, Trifirò, G, Trygg, J & van der Hooft, JJJ 2019, 'Data mining and visualization: general discussion', Faraday Discussions, vol. 218, pp. 354-371. https://doi.org/10.1039/C9FD90044F

TY - JOUR

T1 - Data mining and visualization

T2 - general discussion

AU - Afonso, Carlos

AU - Barrow, Mark P.

AU - Davies, Anthony N.

AU - Delsuc, Marc-André

AU - Ebbels, Timothy

AU - Lima, Francisco-Fernandez

AU - Gauchotte-Lindsay, Caroline

AU - Giusti, Pierre

AU - Goodacre, Royston

AU - Hertkorn, Norbert

AU - Jansen, Jeroen J.

AU - Jones, Donald

AU - Kew, William

AU - Kuhn, Stefan

AU - Le Guennec, Adrien

AU - Lubben, Anneke

AU - Parkinson, John

AU - Paša-Tolić, Ljiljana

AU - Rogers, Simon

AU - Rudd, Timothy R.

AU - Schoenmakers, Peter J.

AU - Sidebottom, Philip

AU - Summerfield, Stephen

AU - Tinnevelt, Gerjen H.

AU - Trifirò, Gianluca

AU - Trygg, Johan

AU - van der Hooft, Justin J. J.

PY - 2019/8/2

Y1 - 2019/8/2

N2 - Gianluca Trifirò opened discussion of the paper by Johan Trygg: With regard to the multivariate analysis of data with different sizes, structures and sources, could the kind of transformation on the raw data affect the final distribution, possibly misleading the interpretation of the correlation matrix? Also, how much do the outliers weigh on the entire multiblock analysis?

AB - Gianluca Trifirò opened discussion of the paper by Johan Trygg: With regard to the multivariate analysis of data with different sizes, structures and sources, could the kind of transformation on the raw data affect the final distribution, possibly misleading the interpretation of the correlation matrix? Also, how much do the outliers weigh on the entire multiblock analysis?

KW - data processing

KW - data mining

KW - data visualisation

U2 - 10.1039/C9FD90044F

DO - 10.1039/C9FD90044F

M3 - Comment/debate

SN - 1359-6640

VL - 218

SP - 354

EP - 371

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Data mining and visualization: general discussion

Abstract

Keywords

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