Sebastian Böcker

23PUBLICATIONS
139CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMetabolic medicineBiomolecular modelling and designMetabolomic chemistryMicrobial genetics
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Publications (23)

|Oct 28, 2025
Barcode-free hit discovery from massive libraries enabled by automated small molecule structure annotation.

Edith van der Nol, Nils Alexander Haupt, Qing Qing Gao

|Jul 27, 2025
Enhancing tandem mass spectrometry-based metabolite annotation with online chemical labeling.

Giovanni Andrea Vitale, Shu-Ning Xia, Kai Dührkop

|Jan 09, 2025
Coverage bias in small molecule machine learning.

Fleming Kretschmer, Jan Seipp, Marcus Ludwig

|Mar 29, 2023
MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem.

Martin A Hoffmann, Fleming Kretschmer, Marcus Ludwig

|Nov 28, 2022
Standardized multi-omics of Earth's microbiomes reveals microbial and metabolite diversity.

Justin P Shaffer, Louis-Félix Nothias, Luke R Thompson

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