Discriminant Q² (DQ²) for improved discrimination in PLSDA models

Discriminant Q² (DQ²) for improved discrimination in PLSDA models

In this paper we introduce discriminant Q² (DQ²) as an improvement for the Q² value used in the validation of PLSDA models. DQ² does not penalize class predictions beyond the class label value. With rigorous Monte Carlo simulations we show that when DQ² is used, a smaller effect can be found statist...

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Veröffentlicht in:Metabolomics 2008-12, Vol.4 (4), p.293-296
Hauptverfasser: Westerhuis, Johan A, van Velzen, Ewoud J. J, Hoefsloot, Huub C. J, Smilde, Age K
Format: Artikel
Sprache:eng
Schlagworte:
Biochemistry
Biomedical and Life Sciences
Biomedicine
Cell Biology
Developmental Biology
Life Sciences
Molecular Medicine
Monte Carlo simulation
Original Article
Studies
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Beschreibung
Zusammenfassung:In this paper we introduce discriminant Q² (DQ²) as an improvement for the Q² value used in the validation of PLSDA models. DQ² does not penalize class predictions beyond the class label value. With rigorous Monte Carlo simulations we show that when DQ² is used, a smaller effect can be found statistically significant than when the standard Q² is used.
ISSN:1573-3882
1573-3890
DOI:10.1007/s11306-008-0126-2