Bioinformatics: The Next Frontier of Metabolomics
نویسندگان
چکیده
■ CONTENTS Streamlining Data Acquisition: The First Step B Data Alignment B Automated Metabolomics B Data Streaming For Cloud-Based Metabolomics C Feature Analysis C Mass Spectral Annotations C Credentialing D Calculating Mass Measurement Errors D Statistical Analysis: Visualization and Deconvolution E Targeted Validation F Pathway Analysis: Putting Metabolomic Data into a Biological Context F The Past and the Future: Stable Isotopes in Metabolic Analysis G Conclusions H Author Information H Corresponding Author H Author Contributions H Notes H Biographies H Acknowledgments I References I
منابع مشابه
HAMMER: automated operation of mass frontier to construct in silico mass spectral fragmentation libraries
SUMMARY Experimental MS(n) mass spectral libraries currently do not adequately cover chemical space. This limits the robust annotation of metabolites in metabolomics studies of complex biological samples. In silico fragmentation libraries would improve the identification of compounds from experimental multistage fragmentation data when experimental reference data are unavailable. Here, we prese...
متن کاملSystems Biology: The Next Frontier for Bioinformatics
Biochemical systems biology augments more traditional disciplines, such as genomics, biochemistry and molecular biology, by championing (i) mathematical and computational modeling; (ii) the application of traditional engineering practices in the analysis of biochemical systems; and in the past decade increasingly (iii) the use of near-comprehensive data sets derived from 'omics platform technol...
متن کاملComputational metabolomics – a field at the boundaries of cheminformatics and bioinformatics
Metabolomics studies the occurrence and change of concentrations of small molecular weight chemical compounds (metabolites) in organisms, organs, tissues, cells and ultimately cell compartments in the context of environmental changes, disease or other boundary conditions. It does this by means of spectroscopic and chromatographic techniques and by observing at once not only a few but all compou...
متن کاملPRIME: Platform for RIKEN Metabolomics
1 RIKEN Plant Science Center, 1-7-22 Suehiro, Tsurumi, Yokohama, Kanagawa 230-0045, Japan 2 Ehime Woman's college, Baba 421, Ibuki, Uwajima, Ehime 798-0025, Japan 3 Department of Molecular Biology and Biotechnology, Graduate School of Pharmaceutical Sciences, Chiba University, Inage, Chiba 263-8522, Japan 4 Core Research for Evolutional Science and Technology, Japan Science and Technology Agenc...
متن کاملMeltDB 2.0–advances of the metabolomics software system
MOTIVATION The research area metabolomics achieved tremendous popularity and development in the last couple of years. Owing to its unique interdisciplinarity, it requires to combine knowledge from various scientific disciplines. Advances in the high-throughput technology and the consequently growing quality and quantity of data put new demands on applied analytical and computational methods. Ex...
متن کامل