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Computer Science

D-Index
47
Citations
13353
World Ranking
6345
National Ranking
296

Overview

Sebastian Böcker is affiliated with Friedrich Schiller University Jena in Germany, contributing extensively to the fields of biochemistry, genetics, and molecular biology, as well as chemistry. Their research primarily focuses on metabolomics and mass spectrometry studies, with significant work in analytical chemistry and chromatography, advanced chemical sensor technologies, and computational drug discovery methods.

Their recent publications include the following papers:

  • Feature-based molecular networking in the GNPS analysis environment, 2020, Nature Methods
  • Integrative analysis of multimodal mass spectrometry data in MZmine 3, 2023, Nature Biotechnology
  • Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra, 2020, Nature Biotechnology
  • Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment, 2021, Nature Communications
  • High-confidence structural annotation of metabolites absent from spectral libraries, 2021, Nature Biotechnology

Böcker frequently collaborates with several researchers, including Kai Dührkop, Pieter C. Dorrestein, Marcus Ludwig, Louis-Félix Nothias, and Daniel Petras. These collaborations have contributed to their research output significantly.

The scientist has published in various venues, with multiple publications appearing in bioRxiv (Cold Spring Harbor Laboratory), Nature Communications, Nature Methods, Nature Biotechnology, and Nature Machine Intelligence.

Their main fields of study encompass:

  • Biochemistry, Genetics and Molecular Biology
  • Chemistry

Within these broader fields, Böcker's subfields of study include:

  • Molecular Biology
  • Spectroscopy
  • Biomedical Engineering
  • Computational Theory and Mathematics
  • Ecology

Key topics covered in their work are:

  • Metabolomics and Mass Spectrometry Studies
  • Analytical Chemistry and Chromatography
  • Advanced Chemical Sensor Technologies
  • Mass Spectrometry Techniques and Applications
  • Computational Drug Discovery Methods
  • Isotope Analysis in Ecology
  • Genomics and Phylogenetic Studies

Best Publications

  • SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information.

    Kai Dührkop;Markus Fleischauer;Marcus Ludwig;Alexander A. Aksenov

  • Feature-based molecular networking in the GNPS analysis environment.

    Louis-Félix Nothias;Louis-Félix Nothias;Daniel Petras;Daniel Petras;Robin Schmid;Kai Dührkop

  • Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

    Kai Dührkop;Huibin Shen;Marvin Meusel;Juho Rousu

  • Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

    Kai Dührkop;Louis Felix Nothias;Markus Fleischauer;Raphael Reher

  • SIRIUS: decomposing isotope patterns for metabolite identification

    Sebastian Böcker;Matthias C. Letzel;Zsuzsanna Lipták;Anton Pervukhin

  • Exact Algorithms for Cluster Editing: Evaluation and Experiments

    Sebastian Böcker;Sebastian Briesemeister;Gunnar W. Klau

  • High-confidence structural annotation of metabolites absent from spectral libraries.

    Martin A. Hoffmann;Martin A. Hoffmann;Louis-Félix Nothias;Louis-Félix Nothias;Marcus Ludwig;Markus Fleischauer

  • Fragmentation trees reloaded

    Sebastian Böcker;Kai Dührkop

  • Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

    Steffen Neumann;Sebastian Böcker

  • Critical Assessment of Small Molecule Identification 2016: automated methods

    Emma L. Schymanski;Christoph Ruttkies;Martin Krauss;Céline Brouard;Céline Brouard

  • Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

    Marcus Ludwig;Louis-Félix Nothias;Kai Dührkop;Irina Koester;Irina Koester

  • Significance estimation for large scale metabolomics annotations by spectral matching

    Kerstin Scheubert;Franziska Hufsky;Daniel Petras;Mingxun Wang

  • High-throughput MALDI-TOF discovery of genomic sequence polymorphisms.

    Patrick Stanssens;Marc Zabeau;Geert Meersseman;Gwen Remes

  • Computational mass spectrometry for small molecules

    Kerstin Scheubert;Franziska Hufsky;Franziska Hufsky;Sebastian Böcker

  • Towards de novo identification of metabolites by analyzing tandem mass spectra

    Sebastian Böcker;Florian Rasche

  • Partitioning biological data with transitivity clustering.

    Tobias Wittkop;Tobias Wittkop;Tobias Wittkop;Dorothea Emig;Sita J. Lange;Sven Rahmann

  • Simple but fundamental limitations on supertree and consensus tree methods.

    Mike Steel;Andreas W. M. Dress;Sebastian Böcker

  • Metabolite identification through multiple kernel learning on fragmentation trees.

    Huibin Shen;Kai Dührkop;Sebastian Böcker;Juho Rousu

  • Going weighted: Parameterized algorithms for cluster editing

    S. Böcker;S. Briesemeister;Q. B. A. Bui;A. Truss

  • Computational mass spectrometry for small-molecule fragmentation

    Franziska Hufsky;Franziska Hufsky;Kerstin Scheubert;Sebastian Böcker

  • Feature-based Molecular Networking in the GNPS Analysis Environment

    Louis Felix Nothias;Daniel Petras;Robin Schmid;Kai Dührkop

  • Fragmentation Trees Reloaded

    Kai Dührkop;Sebastian Böcker

Frequent Co-Authors

Pieter C. Dorrestein
Pieter C. Dorrestein University of California, San Diego
Juho Rousu
Juho Rousu Aalto University
Aleš Svatoš
Aleš Svatoš Max Planck Society
Jens Stoye
Jens Stoye Bielefeld University
Gunnar W. Klau
Gunnar W. Klau Heinrich Heine University Düsseldorf
Steffen Neumann
Steffen Neumann Leibniz Institute of Plant Biochemistry
Andreas W. M. Dress
Andreas W. M. Dress Max Planck Institute for Mathematics in the Sciences
Jan Baumbach
Jan Baumbach Universität Hamburg
Timothy John White
Timothy John White Nanyang Technological University
Ulrich S. Schubert
Ulrich S. Schubert Friedrich Schiller University Jena

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