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Schymanski E. L., Ruttkies C., Krauss M., Brouard C., Kind T., Dührkop K., Allen F., Vaniya A., Verdegem D., Bocker S., Rousu J., Shen H., Tsugawa H., Sajed T., Fiehn O., Ghesquiere B. and Neumann S. (2017) Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics, 9, Article No. 22.
https://doi.org/10.1186/s13321-017-0207-1

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