Articles with public access mandates - Sebastian BöckerLearn more
Recused: 2
Partitioning biological data with transitivity clustering
T Wittkop, D Emig, S Lange, S Rahmann, M Albrecht, JH Morris, S Böcker, ...
Nature methods 7 (6), 419-420, 2010
Mandates: US National Institutes of Health, German Research Foundation
Responsible authors: J Baumbach, T Wittkop
Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification
E Karunaratne, DW Hill, K Dührkop, S Böcker, DF Grant
Analytical Chemistry 95 (32), 11901-11907, 2023
Mandates: US National Institutes of Health, German Research Foundation
Responsible authors: DF Grant, E Karunaratne
Available somewhere: 75
SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information
K Dührkop, M Fleischauer, M Ludwig, AA Aksenov, AV Melnik, M Meusel, ...
Nature methods 16 (4), 299-302, 2019
Mandates: German Research Foundation, Academy of Finland
Searching molecular structure databases with tandem mass spectra using CSI:FingerID
K Dührkop, H Shen, M Meusel, J Rousu, S Böcker
Proceedings of the National Academy of Sciences 112 (41), 12580-12585, 2015
Mandates: German Research Foundation, Academy of Finland
Feature-based molecular networking in the GNPS analysis environment
LF Nothias, D Petras, R Schmid, K Dührkop, J Rainer, A Sarvepalli, ...
Nature methods 17 (9), 905-908, 2020
Mandates: US National Science Foundation, US Department of Defense, US National …
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
K Dührkop, LF Nothias, M Fleischauer, R Reher, M Ludwig, MA Hoffmann, ...
Nature biotechnology 39 (4), 462-471, 2021
Mandates: US National Institutes of Health, Gordon and Betty Moore Foundation, German …
SIRIUS: decomposing isotope patterns for metabolite identification
S Böcker, MC Letzel, Z Lipták, A Pervukhin
Bioinformatics 25 (2), 218-224, 2009
Mandates: German Research Foundation
Integrative analysis of multimodal mass spectrometry data in MZmine 3
R Schmid, S Heuckeroth, A Korf, A Smirnov, O Myers, TS Dyrlund, ...
Nature biotechnology 41 (4), 447-449, 2023
Mandates: US National Science Foundation, US Department of Energy, Swiss National …
Fragmentation trees reloaded
S Böcker, K Dührkop
Journal of cheminformatics 8 (1), 5, 2016
Mandates: German Research Foundation
Critical assessment of small molecule identification 2016: automated methods
EL Schymanski, C Ruttkies, M Krauss, C Brouard, T Kind, K Dührkop, ...
Journal of cheminformatics 9, 1-21, 2017
Mandates: Canadian Institutes of Health Research, Genome Canada, Natural Sciences and …
Significance estimation for large scale metabolomics annotations by spectral matching
K Scheubert, F Hufsky, D Petras, M Wang, LF Nothias, K Dührkop, ...
Nature Communications 8 (1), 1494, 2017
Mandates: US National Institutes of Health, German Research Foundation
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
R Schmid, D Petras, LF Nothias, M Wang, AT Aron, A Jagels, H Tsugawa, ...
Nature communications 12 (1), 3832, 2021
Mandates: US National Science Foundation, US National Institutes of Health, Gordon and …
Computational mass spectrometry for small molecules
K Scheubert, F Hufsky, S Böcker
Journal of cheminformatics 5, 1-24, 2013
Mandates: German Research Foundation
High-confidence structural annotation of metabolites absent from spectral libraries
MA Hoffmann, LF Nothias, M Ludwig, M Fleischauer, EC Gentry, M Witting, ...
Nature Biotechnology 40 (3), 411-421, 2022
Mandates: US National Institutes of Health, Gordon and Betty Moore Foundation, German …
Database-independent molecular formula annotation using Gibbs sampling through ZODIAC
M Ludwig, LF Nothias, K Dührkop, I Koester, M Fleischauer, MA Hoffmann, ...
Nature Machine Intelligence 2 (10), 629-641, 2020
Mandates: US National Science Foundation, US Department of Defense, US National …
Identifying the unknowns by aligning fragmentation trees
F Rasche, K Scheubert, F Hufsky, T Zichner, M Kai, A Svatoš, S Böcker
Analytical chemistry 84 (7), 3417-3426, 2012
Mandates: German Research Foundation
Metabolite identification through multiple kernel learning on fragmentation trees
H Shen, K Dührkop, S Böcker, J Rousu
Bioinformatics 30 (12), i157-i164, 2014
Mandates: German Research Foundation
Going weighted: Parameterized algorithms for cluster editing
S Böcker, S Briesemeister, QBA Bui, A Truß
Theoretical Computer Science 410 (52), 5467-5480, 2009
Mandates: German Research Foundation
Fast metabolite identification with input output kernel regression
C Brouard, H Shen, K Dührkop, F d'Alché-Buc, S Böcker, J Rousu
Bioinformatics 32 (12), i28-i36, 2016
Mandates: German Research Foundation, Academy of Finland
Current status of retention time prediction in metabolite identification
M Witting, S Böcker
Journal of Separation Science 43 (9-10), 1746-1754, 2020
Mandates: German Research Foundation
Publication and funding information is determined automatically by a computer program