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

@inproceedings{Schymanski2013TheCA,
  title={The Critical Assessment of Small Molecule Identification (CASMI): Challenges Solutions},
  author={Emma L Schymanski and Steffen Neumann},
  booktitle={Metabolites},
  year={2013}
}
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

From This Paper

Figures, tables, and topics from this paper.

References

Publications referenced by this paper.
Showing 1-10 of 17 references

Integrated Biological-Chemical Approach for the Identification of Polyaromatic Mutagens in Surface Waters

C.M.G. Gallampois
PhD thesis, Faculty of Mathematics, Informatics and Natural Sciences, RWTH Aachen, • 2012
View 2 Excerpts

CASMI website

E. L. Schymanski, S. Neumann
NIST 2011 Mass Spectral Library • 2011

Open Babel: An open chemical toolbox

J. Cheminformatics • 2011
View 2 Excerpts

Similar Papers

Loading similar papers…