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Dührkop, Kai
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1

Combining Experimental with Computational Infrared and Mass..:

Karunaratne, Erandika ; Hill, Dennis W. ; Dührkop, Kai..
Analytical Chemistry.  95 (2023)  32 - p. 11901-11907 , 2023
Link: https://doi.org/10.1021/..
 
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2

Integrative analysis of multimodal mass spectrometry data i..:

Schmid, Robin ; Heuckeroth, Steffen ; Korf, Ansgar...
Nature Biotechnology.  41 (2023)  4 - p. 447-449 , 2023
Link: https://doi.org/10.1038/..
 
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3

Standardized multi-omics of Earth's microbiomes reveals mic..:

Shaffer, Justin P. ; Nothias, Louis-Félix ; Thompson, Luke R....
Nature Microbiology.  7 (2022)  12 - p. 2128-2150 , 2022
Link: https://doi.org/10.1038/..
 
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4

Deep kernel learning improves molecular fingerprint predict..:

Dührkop, Kai
Bioinformatics.  38 (2022)  Supplement_1 - p. i342-i349 , 2022
Link: https://doi.org/10.1093/..
 
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5

Mass Difference Matching Unfolds Hidden Molecular Structure..:

Simon, Carsten ; Dührkop, Kai ; Petras, Daniel...
Environmental Science & Technology.  56 (2022)  15 - p. 11027-11040 , 2022
Link: https://doi.org/10.1021/..
 
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6

MSNovelist: de novo structure generation from mass spectra:

Stravs, Michael A. ; Dührkop, Kai ; Böcker, Sebastian.
Nature Methods.  19 (2022)  7 - p. 865-870 , 2022
Link: https://doi.org/10.1038/..
 
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7

Illuminating the dark metabolome of Pseudo‐nitzschia–microb..:

Koester, Irina ; Quinlan, Zachary A. ; Nothias, Louis‐Félix...
Environmental Microbiology.  24 (2022)  11 - p. 5408-5424 , 2022
Link: https://doi.org/10.1111/..
 
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8

Ion identity molecular networking for mass spectrometry-bas..:

Schmid, Robin ; Petras, Daniel ; Nothias, Louis-Félix...
Nature Communications.  12 (2021)  1 - p. , 2021
Link: https://doi.org/10.1038/..
 
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9

High-confidence structural annotation of metabolites absent..:

Hoffmann, Martin A. ; Nothias, Louis-Félix ; Ludwig, Marcus...
Nature Biotechnology.  40 (2021)  3 - p. 411-421 , 2021
Link: https://doi.org/10.1038/..
 
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10

Studying Charge Migration Fragmentation of Sodiated Precurs..:

Ludwig, Marcus ; Broeckling, Corey D. ; Dorrestein, Pieter C....
Journal of the American Society for Mass Spectrometry.  32 (2020)  1 - p. 180-186 , 2020
Link: https://doi.org/10.1021/..
 
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11

Systematic classification of unknown metabolites using high..:

Dührkop, Kai ; Nothias, Louis-Félix ; Fleischauer, Markus...
Nature Biotechnology.  39 (2020)  4 - p. 462-471 , 2020
Link: https://doi.org/10.1038/..
 
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12

Bayesian networks for mass spectrometric metabolite identif..:

Ludwig, Marcus ; Dührkop, Kai ; Böcker, Sebastian
Bioinformatics.  34 (2018)  13 - p. i333-i340 , 2018
Link: https://doi.org/10.1093/..
 
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13

Current Challenges in Plant Eco-Metabolomics:

Peters, Kristian ; Worrich, Anja ; Weinhold, Alexander...
International Journal of Molecular Sciences.  19 (2018)  5 - p. 1385 , 2018
Link: https://doi.org/10.3390/..
 
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14

Critical Assessment of Small Molecule Identification 2016: ..:

Schymanski, Emma L. ; Ruttkies, Christoph ; Krauss, Martin...
Journal of Cheminformatics.  9 (2017)  1 - p. , 2017
Link: https://doi.org/10.1186/..
 
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15

Significance estimation for large scale metabolomics annota..:

Scheubert, Kerstin ; Hufsky, Franziska ; Petras, Daniel...
Nature Communications.  8 (2017)  1 - p. , 2017
Link: https://doi.org/10.1038/..
 
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