CASMI: And the Winner is ..

@article{Schymanski2013CASMIAT,
  title={CASMI: And the Winner is ..},
  author={E. Schymanski and S. Neumann},
  journal={Metabolites},
  year={2013},
  volume={3},
  pages={412 - 439}
}
  • E. Schymanski, S. Neumann
  • Published 2013
  • Computer Science, Medicine
  • Metabolites
    • The Critical Assessment of Small Molecule Identification (CASMI) Contest was founded in 2012 to provide scientists with a common open dataset to evaluate their identification methods. In this review, we summarize the submissions, evaluate procedures and discuss the results. We received five submissions (three external, two internal) for LC–MS Category 1 (best molecular formula) and six submissions (three external, three internal) for LC–MS Category 2 (best molecular structure). No external… CONTINUE READING
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    References

    SHOWING 1-10 OF 79 REFERENCES
    CASMI—The Small Molecule Identification Process from a Birmingham Perspective
    • 10
    • PDF
    Small Molecule Identification with MOLGEN and Mass Spectrometry
    • 27
    • PDF
    Metabolite Identification through Machine Learning — Tackling CASMI Challenge Using FingerID
    • 18
    • PDF
    Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012
    • 15
    • PDF
    Tackling CASMI 2012: Solutions from MetFrag and MetFusion
    • 8
    • PDF
    Critical assessment of methods of protein structure prediction (CASP)—round IX
    • 689
    MetFusion: integration of compound identification strategies.
    • 136
    Database supported candidate search for Metabolite identification
    • 14
    • PDF
    In silico fragmentation for computer assisted identification of metabolite mass spectra
    • 453
    Consensus structure elucidation combining GC/EI-MS, structure generation, and calculated properties.
    • 56
    • PDF