Christoph Steinbeck

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 55

Top Venues

Journal of cheminformatics

Magnetic resonance in chemistry : MRC

Metabolites

Nature biotechnology

Friedrich-Schiller-Universität Jena

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Friedrich-Schiller-Universität Jena Mar 01 2017

Germany

Professor for Analytical Chemistry, Cheminformatics and Chemometrics :: Institute for Inorganic and Analytical Chemistry

European Bioinformatics Institute Jan 01 2017

United Kingdom

Visiting Group Leader :: Metabolomics

European Bioinformatics Institute Jan 01 2008 - Dec 31 2016

United Kingdom

Head of Cheminformatics and Metabolism :: Cheminformatics and Metbolism

Eberhard Karls Universität Tübingen Apr 01 2007 - Sep 30 2007

Germany

Lecturer :: Computer Science

Universität zu Köln Oct 01 2002 - Mar 31 2007

Germany

Head of Molecular Informatics :: Biochemistry

Max-Planck-Institute for Chemical Ecology Jun 01 1997 - Oct 01 2002

Germany

Head of Molecular Informatics :: Molecular Informatics

Publications

Mahnoor Zulfiqar, Michael R Crusoe, Birgitta König-Ries, Christoph Steinbeck, Kristian Peters, Luiz Gadelha
Implementation of FAIR Practices in Computational Metabolomics Workflows-A Case Study. Metabolites 14 (2) (2024)
Mahnoor Zulfiqar, Vinay Singh, Christoph Steinbeck, Maria Sorokina
Review on computer-assisted biosynthetic capacities elucidation to assess metabolic interactions and communication within microbial communities. Critical reviews in microbiology (2024)
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Karina van den Broek
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package. Journal of cheminformatics 16 (1) (2024)
Mahnoor Zulfiqar, Michael R Crusoe, Birgitta König-Ries, Christoph Steinbeck, Kristian Peters, Luiz Gadelha
Implementation of FAIR Practices in Computational Metabolomics Workflows-A Case Study. Metabolites 14 (2) (2024)
Mahnoor Zulfiqar, Michael R Crusoe, Birgitta König-Ries, Christoph Steinbeck, Kristian Peters, Luiz Gadelha
Implementation of FAIR Practices in Computational Metabolomics Workflows-A Case Study. Metabolites 14 (2) (2024)
Michael Wenk, Jean-Marc Nuzillard, Christoph Steinbeck
Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data. Molecules (Basel, Switzerland) 28 (3) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Kohulan Rajan, Henning Otto Brinkhaus, M Isabel Agea, Karina van den Broek, Christoph Steinbeck
Author Correction: DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nature communications 14 (1) (2023)
Kohulan Rajan, Henning Otto Brinkhaus, M Isabel Agea, Karina van den Broek, Christoph Steinbeck
DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications. Nature communications 14 (1) (2023)
Stefan Kuhn, Heinz Kolshorn, Christoph Steinbeck, Nils E Schloerer
Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry. Magnetic resonance in chemistry : MRC 62 (2) (2023)
Stefan Kuhn, Heinz Kolshorn, Christoph Steinbeck, Nils E Schloerer
Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry. Magnetic resonance in chemistry : MRC (2023)
Michael Wenk, Jean-Marc Nuzillard, Christoph Steinbeck
Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data. Molecules (Basel, Switzerland) 28 (3) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Karina van den Broek
MORTAR: a rich client application for in silico molecule fragmentation. Journal of cheminformatics 15 (1) (2023)
Felix Bänsch, Christoph Steinbeck, Karina van den Broek
Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics. Membranes 12 (6) (2022)
Jonas Schaub, Julian Zander, Karina van den Broek, Christoph Steinbeck
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK). Journal of cheminformatics 14 (1) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
Sonja Herres-Pawlis, Felix Bach, Ian J Bruno, Stuart J Chalk, Nicole Jung, Johannes C Liermann, Leah R McEwen, Steffen Neumann, Christoph Steinbeck, Matthias Razum, Oliver Koepler
Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices. Angewandte Chemie (International ed. in English) (2022)
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma L Schymanski
An algorithm to classify homologous series within compound datasets. Journal of cheminformatics 14 (1) (2022)
David Johnson, Dominique Batista, Keeva Cochrane, Robert P Davey, Anthony Etuk, Alejandra N Gonzalez-Beltran, Kenneth Haug, Massimiliano Izzo, Martin Larralde, Thomas N Lawson, Alice Minotto, Pablo Moreno, Venkata Chandrasekhar Nainala, Claire O'Donovan, Luca Pireddu, Pierrick Roger, Felix Shaw, Christoph Steinbeck, Ralf J M Weber, Susanna-Assunta Sansone, Philippe Rocca-Serra
ISA API: An open platform for interoperable life science experimental metadata. GigaScience 10 (9) (2022)
Brendan D McKay, Mehmet Aziz Yirik, Christoph Steinbeck
Surge: a fast open-source chemical graph generator. Journal of cheminformatics 14 (1) (2022)
Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon L Wilighagen, Arnaud Gaudry, James G Graham, Ralf Stephan, Roderic M P Page, Jiri Vondrasek, Christoph Steinbeck, Guido F Pauli, Jean-Luc Wolfender, Jonathan Bisson, Pierre-Marie Allard
The LOTUS initiative for open knowledge management in natural products research. eLife 11 (2022)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
STOUT: SMILES to IUPAC names using neural machine translation. Journal of cheminformatics 13 (1) (2021)
Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck
MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle. Journal of cheminformatics 13 (1) (2021)
Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina
Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database. Biomolecules 11 (4) (2021)
Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature. Journal of cheminformatics 13 (1) (2021)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
DECIMER 1.0: deep learning for chemical image recognition using transformers. Journal of cheminformatics 13 (1) (2021)
Mehmet Aziz Yirik, Christoph Steinbeck
Chemical graph generators. PLoS computational biology 17 (1) (2021)
Maria Sorokina, Peter Merseburger, Kohulan Rajan, Mehmet Aziz Yirik, Christoph Steinbeck
COCONUT online: Collection of Open Natural Products database. Journal of cheminformatics 13 (1) (2021)
Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
A review of optical chemical structure recognition tools. Journal of cheminformatics 12 (1) (2020)
Jonas Schaub, Karina van den Broek, Christoph Steinbeck, Maria Sorokina
Too sweet: cheminformatics for deglycosylation in natural products. Journal of cheminformatics 12 (1) (2020)
Christoph Steinbeck, Paul Trevorrow
Meet the Editors-in-Chief. Analytical science advances 1 (1) (2020)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
DECIMER: towards deep learning for chemical image recognition. Journal of cheminformatics 12 (1) (2020)
Maria Sorokina, Christoph Steinbeck
Review on natural products databases: where to find data in 2020. Journal of cheminformatics 12 (1) (2020)
Maria Sorokina, Christoph Steinbeck
NaPLeS: a natural products likeness scorer-web application and database. Journal of cheminformatics 11 (1) (2019)
Gert Wohlgemuth, Sajjan S Mehta, Ramon F Mejia, Steffen Neumann, Diego Pedrosa, Tomáš Pluskal, Emma L Schymanski, Egon L Wilighagen, Michael Wilson, David S Wishart, Masanori Arita, Pieter C Dorrestein, Nuno Bandeira, Mingxun Wang, Tobias Schulze, Reza M Salek, Christoph Steinbeck, Venkata Chandrasekhar Nainala, Robert Mistrik, Takaaki Nishioka, Oliver Fiehn
SPLASH, a hashed identifier for mass spectra. Nature biotechnology 34 (11) (2019)
Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Karina van den Broek
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). Journal of cheminformatics 11 (1) (2019)
Eric J N Helfrich, Reiko Ueoka, Alon Dolev, Michael Rust, Roy A Meoded, Agneya Bhushan, Gianmaria Califano, Rodrigo Costa, Muriel Gugger, Christoph Steinbeck, Pablo Moreno, Jörn Piel
Automated structure prediction of trans-acyltransferase polyketide synthase products. Nature chemical biology 15 (8) (2019)
Yasset Perez Riverol, Mingze Bai, Felipe da Veiga Leprevost, Silvano Squizzato, Young Mi Park, Kenneth Haug, Adam J Carroll, J Dylan Spalding, Justin Paschall, Mingxun Wang, Noemi Del-Toro, Tobias Ternent, Peng Zhang, Nicola Buso, Nuno Bandeira, Eric W Deutsch, David S Campbell, Ronald C Beavis, Reza M Salek, Siddhant Tripathi, Robert Petryszak, Maria Keays, Eoin Fahy, Manish Sud, Shankar Subramaniam, Ariana Barbera, Rafael C Jiménez, Alexey I Nesvizhskii, Susanna-Assunta Sansone, Christoph Steinbeck, Rodrigo Lopez, Juan Antonio Vizcaino, Peipei Ping, Henning Hermjakob
Discovering and linking public omics data sets using the Omics Discovery Index. Nature biotechnology 35 (5) (2018)
Kristian Peters, Anja Worrich, Alexander Weinhold, Oliver Alka, Gerd Balcke, Claudia Birkemeyer, Helge Bruelheide, Onno W Calf, Sophie Dietz, Kai Dührkop, Emmanuel Gaquerel, Uwe Heinig, Marlen Kücklich, Mirka Macel, Caroline Müller, Yvonne Poeschl, Georg Pohnert, Christian Ristok, Victor Manuel Rodríguez, Christoph Ruttkies, Meredith C Schuman, Rabea Schweiger, Nir Shahaf, Christoph Steinbeck, Maria Tortosa, Hendrik Treutler, Nico Ueberschaar, Pablo Velasco, Brigitte M Weiß, Anja Widdig, Steffen Neumann, Nicole M van Dam
Current Challenges in Plant Eco-Metabolomics. International journal of molecular sciences 19 (5) (2018)
James B McAlpine, Shao-Nong Chen, Andrei G Kutateladze, John B MacMillan, Giovanni Appendino, Andersson Barison, Mehdi A Beniddir, Maique Weber Biavatti, Stefan Bluml, Asmaa Boufridi, Mark S Butler, Robert J Capon, Young Hae Choi, David Coppage, Phillip Crews, Michael T Crimmins, Marie Csete, Pradeep Dewapriya, Joseph M Egan, Mary J Garson, Grégory Genta-Jouve, William H Gerwick, Harald Gross, Mary Kay Harper, Precilia Hermanto, James M Hook, Luke Hunter, Damien Jeannerat, Nai-Yun Ji, Tyler A Johnson, David G I Kingston, Hiroyuki Koshino, Hsiau-Wei Lee, Guy Lewin, Jie Li, Roger G Linington, Miaomiao Liu, Kerry L McPhail, Tadeusz F Molinski, Bradley S Moore, Joo-Won Nam, Ram P Neupane, Matthias Niemitz, Jean-Marc Nuzillard, Nicholas H Oberliels, Fernanda Maria Marins Ocampos, Guohui Pan, Ronald J Quinn, D Sai Reddy, Jean-Hugues Renault, José Rivera-Chávez, Wolfgang Robien, Carla M Saunders, Thomas Jürgen Schmidt, Christoph Seger, Ben Shen, Christoph Steinbeck, Hermann Stuppner, Sonja Sturm, Taglialatela-Scafati Orazio, Dean Joseph Tantillo, Robert Verporte, Bin-Gui Wang, Craig M Williams, Philip G Williams, Julien Wist, Jian-Min Yue, Chen Zhang, Zhengren Xu, Charlotte Simmler, David C Lankin, Jonathan Bisson, Guido F Pauli
Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural product reports 36 (1) (2018)
Huijuan Guo, René Benndorf, Stefanie König, Daniel Leichnitz, Christiane Weigel, Gundela Peschel, Patrick Berthel, Marcel Kaiser, Christoph Steinbeck, Oliver Werz, Michael Poulsen, Christine Beemelmanns
Expanding the Rubterolone Family: Intrinsic Reactivity and Directed Diversification of PKS-derived Pyrans. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (44) (2018)
James B McAlpine, Shao-Nong Chen, Andrei G Kutateladze, John B MacMillan, Giovanni Appendino, Andersson Barison, Mehdi A Beniddir, Maique Weber Biavatti, Stefan Bluml, Asmaa Boufridi, Mark S Butler, Robert J Capon, Young Hae Choi, David Coppage, Phillip Crews, Michael T Crimmins, Marie Csete, Pradeep Dewapriya, Joseph M Egan, Mary J Garson, Grégory Genta-Jouve, William H Gerwick, Harald Gross, Mary Kay Harper, Precilia Hermanto, James M Hook, Luke Hunter, Damien Jeannerat, Nai-Yun Ji, Tyler A Johnson, David G I Kingston, Hiroyuki Koshino, Hsiau-Wei Lee, Guy Lewin, Jie Li, Roger G Linington, Miaomiao Liu, Kerry L McPhail, Tadeusz F Molinski, Bradley S Moore, Joo-Won Nam, Ram P Neupane, Matthias Niemitz, Jean-Marc Nuzillard, Nicholas H Oberliels, Fernanda Maria Marins Ocampos, Guohui Pan, Ronald J Quinn, D Sai Reddy, Jean-Hugues Renault, José Rivera-Chávez, Wolfgang Robien, Carla M Saunders, Thomas Jürgen Schmidt, Christoph Seger, Ben Shen, Christoph Steinbeck, Hermann Stuppner, Sonja Sturm, Taglialatela-Scafati Orazio, Dean Joseph Tantillo, Robert Verporte, Bin-Gui Wang, Craig M Williams, Philip G Williams, Julien Wist, Jian-Min Yue, Chen Zhang, Zhengren Xu, Charlotte Simmler, David C Lankin, Jonathan Bisson, Guido F Pauli
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural product reports 36 (1) (2018)
Marion Pupier, Jean-Marc Nuzillard, Julien Wist, Nils E Schloerer, Stefan Kuhn, Máté Erdélyi, Christoph Steinbeck, Antony J Williams, Craig P Butts, Timothy D W Claridge, Bozhana Mikhova, Wolfgang Robien, Hesam Dashti, Hamid R Eghbalnia, Christophe Farès, Christian Adam, Pavel Kessler, Fabrice Moriaud, Mikhail Elyashberg, Dimitris Argyropoulos, Manuel Pérez, Patrick Giraudeau, Roberto R Gil, Paul Trevorrow, Damien Jeannerat
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds. Magnetic resonance in chemistry : MRC 56 (8) (2018)
Rachel A Spicer, Christoph Steinbeck
A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it. Metabolomics : Official journal of the Metabolomic Society 14 (1) (2017)
Merlijn van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez, Warwick B Dunn, Timothy M D Ebbels, Franck Giacomoni, Alejandra N Gonzalez-Beltran, Thomas Hankemeier, Kenneth Haug, Jose L Izquierdo-Garcia, Rafael C Jimenez, Fabien Jourdan, Namrata Kale, Maria I Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Pablo Moreno, Nicholas K Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M Salek, Susanna-Assunta Sansone, Venkata Satagopam, Daniel Schober, Ruth Shimmo, Rachel A Spicer, Ola Spjuth, Etienne A Thévenot, Mark R Viant, Ralf J M Weber, Egon L Wilighagen, Gianluigi Zanetti, Christoph Steinbeck
The future of metabolomics in ELIXIR. F1000Research 6 (2017)
Egon L Wilighagen, John W Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomáš Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain Torrance, Chris T A Evelo, Rajarashi Guha, Christoph Steinbeck
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. Journal of cheminformatics 9 (1) (2017)
Rachel A Spicer, Reza M Salek, Christoph Steinbeck
Compliance with minimum information guidelines in public metabolomics repositories. Scientific data 4 (2017)
Egon L Wilighagen, John W Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomáš Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain Torrance, Chris T A Evelo, Rajarashi Guha, Christoph Steinbeck
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. Journal of cheminformatics 9 (1) (2017)
Rachel A Spicer, Reza M Salek, Pablo Moreno, Daniel Cañueto, Christoph Steinbeck
Navigating freely-available software tools for metabolomics analysis. Metabolomics : Official journal of the Metabolomic Society 13 (9) (2017)
Rachel A Spicer, Reza M Salek, Christoph Steinbeck
A decade after the metabolomics standards initiative it's time for a revision. Scientific data 4 (2017)
Merlijn van Rijswijk, Charlie Beirnaert, Christophe Caron, Marta Cascante, Victoria Dominguez, Warwick B Dunn, Timothy M D Ebbels, Franck Giacomoni, Alejandra N Gonzalez-Beltran, Thomas Hankemeier, Kenneth Haug, Jose L Izquierdo-Garcia, Rafael C Jimenez, Fabien Jourdan, Namrata Kale, Maria I Klapa, Oliver Kohlbacher, Kairi Koort, Kim Kultima, Gildas Le Corguillé, Pablo Moreno, Nicholas K Moschonas, Steffen Neumann, Claire O'Donovan, Martin Reczko, Philippe Rocca-Serra, Antonio Rosato, Reza M Salek, Susanna-Assunta Sansone, Venkata Satagopam, Daniel Schober, Ruth Shimmo, Rachel A Spicer, Ola Spjuth, Etienne A Thévenot, Mark R Viant, Ralf J M Weber, Egon L Wilighagen, Gianluigi Zanetti, Christoph Steinbeck
The future of metabolomics in ELIXIR. F1000Research (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Christoph Steinbeck