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Big (Bio)chemical data mining using chemometric methods: a need for chemists

Parastar, H ; Sharif University of Technology | 2022

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  1. Type of Document: Article
  2. DOI: 10.1002/anie.201801134
  3. Publisher: NLM (Medline) , 2022
  4. Abstract:
  5. This Review summarizes how big (bio)chemical data (BBCD) can be analyzed with multivariate chemometric methods and highlights some of the important challenges faced by modern analytical researches. Here, the potential of chemometric methods to solve BBCD problems that are being encountered in chromatographic, spectroscopic and hyperspectral imaging measurements will be discussed, with an emphasis on their applications to omics sciences. In addition, insights and perspectives on how to address the analysis of BBCD are provided along with a discussion of the procedures necessary to obtain more reliable qualitative and quantitative results. In this Review, the importance of "big data" and of their relevance to (bio)chemistry are first discussed. Thereafter, analytical tools which can produce BBCD are presented as well as the theoretical background of chemometric methods and their limitations when they are applied to BBCD. Finally, the importance of chemometric methods for the analysis of BBCD in different chemical disciplines is highlighted with some examples. In this work, we have tried to cover many of the current applications of big data analysis in the (bio)chemistry field. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
  6. Keywords:
  7. Chemometrics ; Mass Spectrometry ; Omics Science ; Data mining ; Spectroscopy ; Big Data ; Chromatography ; Spectrum Analysis
  8. Source: Angewandte Chemie (International ed. in English) ; Volume 61, Issue 44 , 2022 , Pages e201801134- ; 15213773 (ISSN)
  9. URL: https://onlinelibrary.wiley.com/doi/abs/10.1002/ange.201801134