MetFrag relaunched: incorporating strategies beyond in silico fragmentation. - Christoph Ruttkies; Emma Schymanski; Sebastian Wolf; Juliane Hollender; Steffen Neumann (J. Cheminformatics, 2016)

Critical Assessment of Small Molecule Identification 2016: automated methods. - Emma Schymanski; Christoph Ruttkies; Martin Krauss; Céline Brouard; Tobias Kind; Kai Dührkop; Felicity Allen; Arpana Vaniya; Dries Verdegem; Sebastian Böcker; Juho Rousu; Huibin Shen; et al. (J. Cheminformatics, 2017)

"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. - Andrew D. McEachran; Kamel Mansouri; Christopher M. Grulke; Emma Schymanski; Christoph Ruttkies; Antony J. Williams (J. Cheminformatics, 2018)

Interoperable and scalable data analysis with microservices: applications in metabolomics. - Payam Emami Khoonsari; Pablo A. Moreno; Sven Bergmann; Joachim Burman; Marco Capuccini; Matteo Carone; Marta Cascante; Pedro de Atauri; Carles Foguet; Alejandra N. González-Beltrán; Thomas Hankemeier; Kenneth Haug; et al. (Bioinform., 2019)

Improving MetFrag with statistical learning of fragment annotations. - Christoph Ruttkies; Steffen Neumann; Stefan Posch (BMC Bioinform., 2019)

Enhancing the identification of small molecules based on tandem mass spectra and combinatorial fragmentation - Christoph Ruttkies (2022)