Steffen Neumann

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 12

Top Topics

Identify Potential

Chemical Compounds

Top Venues

J. Cheminformatics

Publications

Steffen Neumann, Felix Bach, Leyla Jael Castro, Tillmann Fischer, Stefan Hofmann, Pei-Chi Huang, Nicole Jung, Bhavin Katabathuni, Fabian Mauz, René Meier, Venkata Chandrasekhar Nainala, Noura Rayya, Christoph Steinbeck, Oliver Koepler
Harmonising, Harvesting, and Searching Metadata Across a Repository Federation. CoRDI (2023)
Oliver Koepler, Christoph Steinbeck, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes Liermann, Steffen Neumann, Matthias Razum
Digitalizing the Chemical Landscape: A Comprehensive Overview and Progress Report of NFDI4Chem. CoRDI (2023)
Leyla Jael Castro, Juliane Fluck, Daniel Arend, Matthias Lange, Daniel Martini, Steffen Neumann, Sonja Schimmler, Dietrich Rebholz-Schuhmann
Schema.org as a Lightweight Harmonization Approach for NFDI. CoRDI (2023)
Kathryn Dumschott, Hannah Dörpholz, Marie-Angélique Laporte, Dominik Brilhaus, Andrea Schrader, Björn Usadel, Steffen Neumann, Elizabeth Arnaud, Angela Kranz
Ontologies for increasing the FAIRness of plant research data. CoRR (2023)
Emma Schymanski, Todor Kondic, Steffen Neumann, Paul A. Thiessen, Jian Zhang, Evan Bolton
Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J. Cheminformatics 13 (1) (2021)
Christoph Ruttkies, Steffen Neumann, Stefan Posch
Improving MetFrag with statistical learning of fragment annotations. BMC Bioinform. 20 (1) (2019)
Payam Emami Khoonsari, Pablo Moreno, Sven Bergmann, Joachim Burman, Marco Capuccini, Matteo Carone, Marta Cascante, Pedro de Atauri, Carles Foguet, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Sijin He, Stephanie Herman, David Johnson, Namrata Kale, Anders Larsson, Steffen Neumann, Kristian Peters, Luca Pireddu, Philippe Rocca-Serra, Pierrick Roger, Rico Rueedi, Christoph Ruttkies, Noureddin Sadawi, Reza M. Salek, Susanna-Assunta Sansone, Daniel Schober, Vitaly A. Selivanov, Etienne A. Thévenot, Michael van Vliet, Gianluigi Zanetti, Christoph Steinbeck, Kim Kultima, Ola Spjuth
Interoperable and scalable data analysis with microservices: applications in metabolomics. Bioinform. 35 (19) (2019)
Merlijn N. van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez Del Angel, Warwick B. Dunn, Timothy M. D. Ebbels, Franck Giacomoni, Alejandra N. González-Beltrán, Thomas Hankemeier, Kenneth Haug, Jose L. Izquierdo-García, Rafael C. Jimenez, Fabien Jourdan, Namrata Kale, Maria I. Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Nicholas K. Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M. Salek, Susanna-Assunta Sansone, Venkata P. Satagopam, Daniel Schober, Ruth Shimmo, Rachel A. Spicer, Ola Spjuth, Etienne A. Thévenot, Mark R. Viant, Ralf J. M. Weber, Egon L. Willighagen, Gianluigi Zanetti, Christoph Steinbeck
The future of metabolomics in ELIXIR. F1000Research 6 (2017)
Masanori Arita, Sebastian Böcker, Steffen Neumann
Computational Metabolomics (NII Shonan Meeting 2017-3). NII Shonan Meet. Rep. 2017 (2017)
Emma Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann
Critical Assessment of Small Molecule Identification 2016: automated methods. J. Cheminformatics 9 (1) (2017)
Daniel Schober, Reza M. Salek, Steffen Neumann
Towards standardized evidence descriptors for metabolite annotations. ODLS (2016)
Christoph Ruttkies, Emma Schymanski, Sebastian Wolf, Juliane Hollender, Steffen Neumann
MetFrag relaunched: incorporating strategies beyond in silico fragmentation. J. Cheminformatics 8 (1) (2016)
Pablo Moreno, Stephan Beisken, Bhavana Harsha, Venkatesh Muthukrishnan, Ilinca Tudose, Adriano Dekker, Stefanie Dornfeldt, Franziska Taruttis, Ivo Grosse, Janna Hastings, Steffen Neumann, Christoph Steinbeck
BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology. BMC Bioinform. 16 (2015)
Gunnar Libiseller, Michaela Dvorzak, Ulrike Kleb, Edgar Gander, Tobias Eisenberg, Frank Madeo, Steffen Neumann, Gert Trausinger, Frank Sinner, Thomas R. Pieber, Christoph Magnes
IPO: a tool for automated optimization of XCMS parameters. BMC Bioinform. 16 (2015)
Alejandra N. González-Beltrán, Steffen Neumann, Eamonn Maguire, Susanna-Assunta Sansone, Philippe Rocca-Serra
The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again. BMC Bioinform. 15 (S-1) (2014)
Kenneth Haug, Reza M. Salek, Pablo Conesa, Janna Hastings, Paula de Matos, Mark Rijnbeek, Tejasvi Mahendraker, Mark Williams, Steffen Neumann, Philippe Rocca-Serra, Eamonn Maguire, Alejandra N. González-Beltrán, Susanna-Assunta Sansone, Julian L. Griffin, Christoph Steinbeck
MetaboLights - an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Res. 41 (Database-Issue) (2013)
Daniel Schober, Gerhard Mayer, Annick Moing, Martin Eisenacher, Steffen Neumann
Ontological analysis of controlled vocabularies used in PSI/MSI supported XML standards. GI-Jahrestagung (2013)
Christian Hildebrandt, Sebastian Wolf, Steffen Neumann
Database supported candidate search for Metabolite identification. J. Integr. Bioinform. 8 (2) (2011)
Sebastian Wolf, Stephan Schmidt, Matthias Müller-Hannemann, Steffen Neumann
In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinform. 11 (2010)
Philippe Rocca-Serra, Marco Brandizi, Eamonn Maguire, Nataliya Sklyar, Chris F. Taylor, Kimberly Begley, Dawn Field, Stephen C. Harris, Winston Hide, Oliver Hofmann, Steffen Neumann, Peter Sterk, Weida Tong, Susanna-Assunta Sansone
ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level. Bioinform. 26 (18) (2010)
Stefan Kuhn, Björn Egert, Steffen Neumann, Christoph Steinbeck
Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction. BMC Bioinform. 9 (2008)
Eva Lange, Ralf Tautenhahn, Steffen Neumann, Clemens Gröpl
Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements. BMC Bioinform. 9 (2008)
Ralf Tautenhahn, Christoph Böttcher, Steffen Neumann
Highly sensitive feature detection for high resolution LC/MS. BMC Bioinform. 9 (2008)
Antje Gaida, Steffen Neumann
MetHouse: Raw and Preprocessed Mass Spectrometry Data. J. Integr. Bioinform. 4 (1) (2007)
Alexander Hinneburg, Ralf Klinkenberg, Ingo Mierswa, Stefan Posch, Steffen Neumann
Workshop on Knowledge Discovery, Data Mining, and Machine Learning and Workshop on Bioinformatics. LWA (2007)
Björn Egert, Steffen Neumann, Alexander Hinneburg
Fast Approximate Duplicate Detection for 2D-NMR Spectra. DILS (2007)
Ralf Tautenhahn, Christoph Böttcher, Steffen Neumann
Annotation of LC/ESI-MS Mass Signals. BIRD (2007)
Sebastian Klie, Steffen Neumann
Storage and Processing of Mass Spectrometry Data. DEXA Workshops (2006)
Frank Zöllner, Steffen Neumann, Franz Kummert, Gerhard Sagerer
Database driven test case generation for protein?Cprotein docking. Bioinform. 21 (5) (2005)
Kerstin Koch, Frank Zöllner, Steffen Neumann, Franz Kummert, Gerhard Sagerer
Comparing bound and unbound protein structures using energy calculation and rotamer statistics. Silico Biol. 2 (3) (2002)
Steffen Neumann, Stefan Posch, Gerhard Sagerer
Towards Evaluation of Docking Hypotheses using elastic Matching. German Conference on Bioinformatics (1999)