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Analytical Chemistry|December 25, 2010
Computing fragmentation trees from tandem mass spectrometry dataFlorian Rasche, Ales Svatos, Ravi Kumar Maddula, et al.
BMC Bioinformatics|October 22, 2008
Peak intensity prediction in MALDI-TOF mass spectrometry: a machine learning study to support quantitative proteomicsWiebke Timm, Alexandra Scherbart, Sebastian Böcker, et al.
Metabolomics : Official Journal of the Metabolomic Society|November 27, 2022
Critical assessment of chromatographic metadata in publicly available metabolomics data repositoriesEva-Maria Harrieder, Fleming Kretschmer, Warwick Dunn, et al.
Nature Protocols|March 5, 2011
Comprehensive cluster analysis with Transitivity ClusteringTobias Wittkop, Dorothea Emig, Anke Truss, et al.
Computational Systems Bioinformatics. Computational Systems Bioinformatics Conference|October 24, 2007
Exact and heuristic algorithms for weighted cluster editingSven Rahmann, Tobias Wittkop, Jan Baumbach, et al.
Rapid Communications in Mass Spectrometry : RCM|November 17, 2025
Enhancing Chimeric Fragmentation Spectra Deconvolution Using Direct Infusion-Tandem Mass Spectrometry Across High-Resolution Mass Spectrometric PlatformsArina Ivanova, Wei Tang, Carsten Simon, et al.
Analytical Chemistry|July 12, 2016
Predicting the Presence of Uncommon Elements in Unknown Biomolecules from Isotope PatternsMarvin Meusel, Franziska Hufsky, Fabian Panter, et al.
Analytical Chemistry|August 4, 2023
Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure IdentificationErandika Karunaratne, Dennis W Hill, Kai Dührkop, et al.
Bioinformatics (Oxford, England)|June 17, 2016
Fast metabolite identification with Input Output Kernel RegressionCéline Brouard, Huibin Shen, Kai Dührkop, et al.
Plos One|January 22, 2010
Unbiased transcriptional comparisons of generalist and specialist herbivores feeding on progressively defenseless Nicotiana attenuata plantsGeetha Govind, Omprakash Mittapalli, Thasso Griebel, et al.
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