Machine Learning of Raman Spectroscopic Data: Comparison of Different Validation Strategies

David Lilek; Daniel Zimmermann; Lukas Steininger; Maurizio Musso; Bodo D Wilts; Sonja Gamsjaeger; Daniel Ralph Hermann; Christoph Wiesner; Agnes Grünfelder; Birgit Herbinger; Katerina Prohaska

doi:10.1002/jrs.6842

Machine Learning of Raman Spectroscopic Data: Comparison of Different Validation Strategies

David Lilek, Daniel Zimmermann, Lukas Steininger, Maurizio Musso, Bodo D Wilts, Sonja Gamsjaeger, Daniel Ralph Hermann, Christoph Wiesner, Agnes Grünfelder, Birgit Herbinger, Katerina Prohaska

Publikation: Beitrag in Fachzeitschrift › Artikel › peer-review

Originalsprache	Englisch
Seiten (von - bis)	867-877
Seitenumfang	11
Fachzeitschrift	Journal of Raman Spectroscopy
Jahrgang	56
Ausgabenummer	9
DOIs	https://doi.org/10.1002/jrs.6842
Publikationsstatus	Veröffentlicht - Jan. 2025

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10.1002/jrs.6842

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@article{c4ef26abb2884ecdb2f12287aa1d3fde,

title = "Machine Learning of Raman Spectroscopic Data: Comparison of Different Validation Strategies",

keywords = "biological SERS datasets, cross–validation strategies, machine learning classifiers, overfitting, spectral quality control",

author = "David Lilek and Daniel Zimmermann and Lukas Steininger and Maurizio Musso and Bodo D Wilts and Sonja Gamsjaeger and Hermann, \{Daniel Ralph\} and Christoph Wiesner and Agnes Gr{\"u}nfelder and Birgit Herbinger and Katerina Prohaska",

note = "Publisher Copyright: {\textcopyright} 2025 John Wiley \& Sons Ltd.",

year = "2025",

month = jan,

doi = "10.1002/jrs.6842",

language = "English",

volume = "56",

pages = "867--877",

journal = "Journal of Raman Spectroscopy",

issn = "0377-0486",

publisher = "John Wiley and Sons Ltd",

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TY - JOUR

T1 - Machine Learning of Raman Spectroscopic Data

T2 - Comparison of Different Validation Strategies

AU - Lilek, David

AU - Zimmermann, Daniel

AU - Steininger, Lukas

AU - Musso, Maurizio

AU - Wilts, Bodo D

AU - Gamsjaeger, Sonja

AU - Hermann, Daniel Ralph

AU - Wiesner, Christoph

AU - Grünfelder, Agnes

AU - Herbinger, Birgit

AU - Prohaska, Katerina

PY - 2025/1

Y1 - 2025/1

KW - biological SERS datasets

KW - cross–validation strategies

KW - machine learning classifiers

KW - overfitting

KW - spectral quality control

UR - https://www.scopus.com/pages/publications/105007237456

UR - https://www.mendeley.com/catalogue/27219a86-71be-33e8-8746-4cd602d386da/

U2 - 10.1002/jrs.6842

DO - 10.1002/jrs.6842

M3 - Article

AN - SCOPUS:105007237456

SN - 0377-0486

VL - 56

SP - 867

EP - 877

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

IS - 9

ER -

Machine Learning of Raman Spectroscopic Data: Comparison of Different Validation Strategies

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