DC pole | Wartość | Język |
dc.contributor.author | Stanimirova, Ivana | - |
dc.contributor.author | Daszykowski, Michał | - |
dc.date.accessioned | 2021-01-26T11:24:04Z | - |
dc.date.available | 2021-01-26T11:24:04Z | - |
dc.date.issued | 2021 | - |
dc.identifier.citation | "Molecules" (2021), iss. 3, art. no. 621, s. 1-16 | pl_PL |
dc.identifier.issn | 1420-3049 | - |
dc.identifier.uri | http://hdl.handle.net/20.500.12128/18591 | - |
dc.description.abstract | This article discusses the possibility of exploratory data analysis of samples described by
second-order chromatographic data affected by peak shifts. In particular, the potential of the kernel
Gram matrix representation as an alternative to the necessary and time-consuming alignment step is
evaluated. It was demonstrated through several simulation studies and comparisons that even small
peak shifts can be a substantial source of data variance, and they can easily hamper the interpretation
of chromatographic data. When peak shifts are small, their negative effect is far more destructive
than the impact of relatively large levels of the Gaussian noise, heteroscedastic noise, and signal’s
baseline. The Gram principal component analysis approach has proven to be a well-suited tool for
exploratory analysis of chromatographic signals collected using the diode-array detector in which
sample-to-sample peak shifts were observed. | pl_PL |
dc.language.iso | en | pl_PL |
dc.rights | Uznanie autorstwa 3.0 Polska | * |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/pl/ | * |
dc.subject | chemical fingerprints | pl_PL |
dc.subject | kernel trick | pl_PL |
dc.subject | Gram PCA | pl_PL |
dc.subject | warping | pl_PL |
dc.subject | preprocessing | pl_PL |
dc.subject | peak shifts | pl_PL |
dc.subject | second-order data | pl_PL |
dc.subject | diode-array detector | pl_PL |
dc.subject | multichannel detector | pl_PL |
dc.title | Assessment of the Kernel Gram Matrix Representation of Data in Order to Avoid the Alignment of Chromatographic Signals | pl_PL |
dc.type | info:eu-repo/semantics/article | pl_PL |
dc.identifier.doi | 10.3390/molecules26030621 | - |
Pojawia się w kolekcji: | Artykuły (WNŚiT)
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