Publication detail

A Comprehensive Tool for State-of-the-Art Pre-processing Analysis in Metabolomics included in updated App: COVAIN v2.0.0

SCHWARZEROVÁ, J. WECKWERTH, W.

Original Title

A Comprehensive Tool for State-of-the-Art Pre-processing Analysis in Metabolomics included in updated App: COVAIN v2.0.0

Type

abstract

Language

English

Original Abstract

In mass spectrometry (MS)-based metabolomics data, effective data preprocessing plays a crucial role in enabling advanced analysis and facilitating meaningful insights for comparative studies. With this objective in mind, our primary focus was on enhancing and implementing a cutting-edge preprocessing method in our newly developed application, COVAIN v2.0.0, for advanced metabolomics data processing. Our goal was to provide users with a streamlined and user-friendly environment that allows for intuitive data processing, offering various options to generate comprehensive results for final assessment. The preprocessing section alone encompasses a wide range of functionalities, including different imputation methods for handling missing values such as zero, half minimum (HM), mean, median, random forest (RF), singular value decomposition (SVD), k-nearest neighbors (kNN), and quantile regression imputation of left-censored data (QRILC). Furthermore, subsequent preprocessing steps include outlier adjustment, where default options are provided to reduce outliers based on the winsorization transformation technique. Lastly, the transformation step offers multiple normalization options, including log(), ln(), and Z-score transformations. Additionally, this section incorporates the calculation of the ANOVA test for group selection, along with the ability to adjust the p-value. Overall, our application, COVAIN v2.0.0, strives to deliver an advanced and user-friendly solution for metabolomics data processing, ensuring robust preprocessing techniques and a comprehensive suite of analysis tools.

Keywords

Advanced analysis tools, Mass spectrometry, Data preprocessing, Metabolomics

Authors

SCHWARZEROVÁ, J.; WECKWERTH, W.

Released

19. 6. 2023

Publisher

Czech Society for Mass Spectrometry

ISBN

978-80-907478-2-1

Book

Book of Abstracts from the Eleventh Annual Conference of the Czech Society for Mass Spectrometry

Edition

first

Pages from

38

Pages to

38

Pages count

1

BibTex

@misc{BUT184916,
  author="Jana {Schwarzerová} and Wolfram {Weckwerth}",
  title="A Comprehensive Tool for State-of-the-Art Pre-processing Analysis in Metabolomics included in updated App: COVAIN v2.0.0",
  booktitle="Book of Abstracts from the Eleventh Annual Conference of the Czech Society for Mass Spectrometry",
  year="2023",
  series="first",
  pages="38--38",
  publisher="Czech Society for Mass Spectrometry",
  isbn="978-80-907478-2-1",
  note="abstract"
}