The Critical Assessment of Small Molecule Identification (CASMI): Challenges Solutions

  title={The Critical Assessment of Small Molecule Identification (CASMI): Challenges Solutions},
  author={Emma L Schymanski and Steffen Neumann},
The Critical Assessment of Small Molecule Identification, or CASMI, contest was founded in 2012 to provide scientists with a common open dataset to evaluate their identification methods. In this article, the challenges and solutions for the inaugural CASMI 2012 are presented. The contest was split into four categories corresponding with tasks to determine molecular formula and molecular structure, each from two measurement types, liquid chromatography-high resolution mass spectrometry (LC-HRMS… CONTINUE READING

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