Concepedia

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

Hiroshi Tsugawa, Tomáš Čajka, Tobias Kind, Yan Ma, Brendan T. Higgins, Kazutaka Ikeda, Mitsuhiro Kanazawa, Jean S. VanderGheynst, Oliver Fiehn, Masanori Arita

Nature Methods · 2015 · 3.4K citations · 29 references

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Concepts

References

29

Smoothing and Differentiation of Data by Simplified Least Squares Procedures.

Abraham Savitzky, Marcel J. E. Golay · Analytical Chemistry · 1964 · 21.3K citations

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PLS-regression: a basic tool of chemometrics

Svante Wold, Michael Sjöstróm, Lennart Eriksson · Chemometrics and Intelligent Laboratory Systems · 2001 · 9.7K citations

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Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease

Zeneng Wang, Elizabeth Klipfell, Brian J. Bennett et al. · Nature · 2011 · 5.6K citations

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Proposed minimum reporting standards for chemical analysis

Lloyd W. Sumner, Alexander Amberg, Michael H. Beale et al. · Metabolomics · 2007 · 5K citations · Full text

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PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

Chun Wei Yap · Journal of Computational Chemistry · 2010 · 3K citations · Full text

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