TY - JOUR
T1 - MetaboLink
T2 - a web application for streamlined processing and analysis of large-scale untargeted metabolomics data
AU - Mendes, Ana
AU - Havelund, Jesper Foged
AU - Lemvig, Jonas
AU - Schwammle, Veit
AU - Færgeman, Nils J.
PY - 2024/7/1
Y1 - 2024/7/1
N2 - Motivation: The post-processing and analysis of large-scale untargeted metabolomics data face significant challenges due to the intricate nature of correction, filtration, imputation, and normalization steps. Manual execution across various applications often leads to inefficiencies, human-induced errors, and inconsistencies within the workflow. Results: Addressing these issues, we introduce MetaboLink, a novel web application designed to process LC-MS metabolomics datasets combining established methodologies and offering flexibility and ease of implementation. It offers visualization options for data interpretation, an interface for statistical testing, and integration with PolySTest for further tests and with VSClust for clustering analysis. Availability and implementation: Fully functional tool is publicly available at https://computproteomics.bmb.sdu.dk/Metabolomics/. The source code is available at https://github.com/anitamnd/MetaboLink and a detailed description of the app can be found at https://github.com/anitamnd/MetaboLink/wiki. A tutorial video can be found at https://youtu.be/ZM6j10S6Z8Q.
AB - Motivation: The post-processing and analysis of large-scale untargeted metabolomics data face significant challenges due to the intricate nature of correction, filtration, imputation, and normalization steps. Manual execution across various applications often leads to inefficiencies, human-induced errors, and inconsistencies within the workflow. Results: Addressing these issues, we introduce MetaboLink, a novel web application designed to process LC-MS metabolomics datasets combining established methodologies and offering flexibility and ease of implementation. It offers visualization options for data interpretation, an interface for statistical testing, and integration with PolySTest for further tests and with VSClust for clustering analysis. Availability and implementation: Fully functional tool is publicly available at https://computproteomics.bmb.sdu.dk/Metabolomics/. The source code is available at https://github.com/anitamnd/MetaboLink and a detailed description of the app can be found at https://github.com/anitamnd/MetaboLink/wiki. A tutorial video can be found at https://youtu.be/ZM6j10S6Z8Q.
U2 - 10.1093/bioinformatics/btae459
DO - 10.1093/bioinformatics/btae459
M3 - Journal article
C2 - 39018180
AN - SCOPUS:85199703320
SN - 1367-4811
VL - 40
JO - Bioinformatics
JF - Bioinformatics
IS - 7
M1 - btae459
ER -