Metabolite identification dataset used to for the IOKR and MP-IOKR experiments in the publication:
"Magnitude-Preserving Ranking for Structured Outputs" by Brouard et al. (2017)
The code to run the experiments can be found on Github: https://github.com/aalto-ics-kepaco/iokr_for_metabolite_identification (mp-iokr/application/ACML17).
Brouard, C., Bach, E., Böcker, S. & Rousu, J., 3 marrask. 2017, Proceedings of the Ninth Asian Conference on Machine Learning. Zhang, M.-L. & Noh, Y.-K. (toim.). JMLR, s. 407-42216 Sivumäärä (Proceedings of Machine Learning Research; Vuosikerta 77).