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Batch alignment via retention orders for preprocessing large-scale multi-batch LC-MS experiments
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SYSNO ASEP 0560115 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Batch alignment via retention orders for preprocessing large-scale multi-batch LC-MS experiments Author(s) Malinka, František (UMG-J)
Zareie, Ashkan (UMG-J)
Procházka, Jan (UMG-J) ORCID
Sedláček, Radislav (UMG-J) RID
Novosadová, Vendula (UMG-J)Number of authors 5 Source Title Bioinformatics. - : Oxford University Press - ISSN 1367-4803
Roč. 38, č. 15 (2022), s. 3759-3767Number of pages 9 s. Publication form Online - E Language eng - English Country GB - United Kingdom Keywords mass spectrometry data ; sequence alignment ; metabolomics ; algorithms Subject RIV EB - Genetics ; Molecular Biology OECD category Biochemistry and molecular biology R&D Projects LM2018126 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) EF16_013/0001789 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Limited access Institutional support UMG-J - RVO:68378050 UT WOS 000835001000012 DOI 10.1093/bioinformatics/btac407 Annotation Motivation: Meticulous selection of chromatographic peak detection parameters and algorithms is a crucial step in preprocessing liquid chromatography-mass spectrometry (LC-MS) data. However, as mass-to-charge ratio and retention time shifts are larger between batches than within batches, finding apt parameters for all samples of a large-scale multi-batch experiment with the aim of minimizing information loss becomes a challenging task. Preprocessing independent batches individually can curtail said problems but requires a method for aligning and combining them for further downstream analysis. Workplace Institute of Molecular Genetics Contact Nikol Škňouřilová, nikol.sknourilova@img.cas.cz, Tel.: 241 063 217 Year of Publishing 2023 Electronic address https://academic.oup.com/bioinformatics/article/38/15/3759/6617343?login=true
Number of the records: 1