Christoph Steinbeck

According to our database, Christoph Steinbeck authored at least 102 papers between 1995 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2025

The evolution of open science in cheminformatics: a journey from closed systems to collaborative innovation.

Christoph Steinbeck

J. Cheminformatics, December, 2025

Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis.

Kohulan Rajan, Venkata Chandrasekhar, Nisha Sharma, Sri Ram Sagar Kanakam, Felix Bänsch, Christoph Steinbeck

J. Cheminformatics, December, 2025

Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Proceedings of the Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions, 2025

2024

STOUT V2.0: SMILES to IUPAC name conversion using transformer models.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, December, 2024

Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture.

Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, December, 2024

An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package.

Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, December, 2024

2023

MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.

Mahnoor Zulfiqar, Luiz M. R. Gadelha Jr., Christoph Steinbeck, Maria Sorokina, Kristian Peters

J. Cheminformatics, December, 2023

Cheminformatics Microservice: unifying access to open cheminformatics toolkits.

Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan

J. Cheminformatics, December, 2023

Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C₁₀E₄/water mixture with lamellar bilayer formation.

Felix Bänsch, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, December, 2023

MORTAR: a rich client application for in silico molecule fragmentation.

Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2023

Harmonising, Harvesting, and Searching Metadata Across a Repository Federation.

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

Proceedings of the 1st Conference on Research Data Infrastructure - Connecting Communities, 2023

Digitalizing the Chemical Landscape: A Comprehensive Overview and Progress Report of NFDI4Chem.

Oliver Koepler, Christoph Steinbeck, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes Liermann, Steffen Neumann, Matthias Razum

Proceedings of the 1st Conference on Research Data Infrastructure - Connecting Communities, 2023

2022

Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).

Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2022

Surge: a fast open-source chemical graph generator.

Brendan D. McKay, Mehmet Aziz Yirik, Christoph Steinbeck

J. Cheminformatics, 2022

An algorithm to classify homologous series within compound datasets.

Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma Schymanski

J. Cheminformatics, 2022

DECIMER - hand-drawn molecule images dataset.

Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan

J. Cheminformatics, 2022

RanDepict: Random chemical structure depiction generator.

Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2022

Toward a Framework for Integrative, FAIR, and Reproducible Management of Data on the Dynamic Balance of Microbial Communities.

Luiz M. R. Gadelha Jr., Martin Hohmuth, Mahnoor Zulfiqar, David Schöne, Sheeba Samuel, Maria Sorokina, Christoph Steinbeck, Birgitta König-Ries

Proceedings of the 18th IEEE International Conference on e-Science, 2022

2021

Chemical graph generators.

Mehmet Aziz Yirik, Christoph Steinbeck

PLoS Comput. Biol., 2021

MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.

Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck

J. Cheminformatics, 2021

COCONUT online: Collection of Open Natural Products database.

Maria Sorokina, Peter Merseburger, Kohulan Rajan, Mehmet Aziz Yirik, Christoph Steinbeck

J. Cheminformatics, 2021

DECIMER 1.0: deep learning for chemical image recognition using transformers.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

STOUT: SMILES to IUPAC names using neural machine translation.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.

Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2021

DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.

Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2021

2020

Review on natural products databases: where to find data in 2020.

Maria Sorokina, Christoph Steinbeck

J. Cheminformatics, 2020

Too sweet: cheminformatics for deglycosylation in natural products.

Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina

J. Cheminformatics, 2020

DECIMER: towards deep learning for chemical image recognition.

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2020

A review of optical chemical structure recognition tools.

Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2020

2019

NaPLeS: a natural products likeness scorer - web application and database.

Maria Sorokina, Christoph Steinbeck

J. Cheminformatics, 2019

ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK).

Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny

J. Cheminformatics, 2019

Interoperable and scalable data analysis with microservices: applications in metabolomics.

Payam Emami Khoonsari, Pablo A. 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

Bioinform., 2019

2017

Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck

J. Cheminformatics, 2017

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck

J. Cheminformatics, 2017

The future of metabolomics in ELIXIR.

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. Jiménez, 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

F1000Research, 2017

mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data.

Martin Larralde, Thomas N. Lawson, Ralf J. M. Weber, Pablo A. Moreno, Kenneth Haug, Philippe Rocca-Serra, Mark R. Viant, Christoph Steinbeck, Reza M. Salek

Bioinform., 2017

2016

ChEBI in 2016: Improved services and an expanding collection of metabolites.

Janna Hastings, Gareth I. Owen, Adriano Dekker, Marcus Ennis, Namrata Kale, Venkatesh Muthukrishnan, Steve Turner, Neil Swainston, Pedro Mendes, Christoph Steinbeck

Nucleic Acids Res., 2016

libChEBI: an API for accessing the ChEBI database.

Neil Swainston, Janna Hastings, Adriano Dekker, Venkatesh Muthukrishnan, John W. May, Christoph Steinbeck, Pedro Mendes

J. Cheminformatics, 2016

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.

Yannick Djoumbou, Roman Eisner, Craig Knox, Leonid L. Chepelev, Janna Hastings, Gareth I. Owen, Eoin Fahy, Christoph Steinbeck, Shankar Subramanian, Evan Bolton, Russell Greiner, David S. Wishart

J. Cheminformatics, 2016

Reaction Decoder Tool (RDT): extracting features from chemical reactions.

Syed Asad Rahman, Gilliean Torrance, Lorenzo Baldacci, Sergio Martínez Cuesta, Franz Fenninger, Nimish Gopal, Saket Choudhary, John W. May, Gemma L. Holliday, Christoph Steinbeck, Janet M. Thornton

Bioinform., 2016

2015

Updates in Rhea - a manually curated resource of biochemical reactions.

Anne Morgat, Kristian B. Axelsen, Thierry Lombardot, Rafael Alcántara, Lucila Aimo, Mohamed Zerara, Anne Niknejad, Eugeni Belda, Nevila Hyka-Nouspikel, Elisabeth Coudert, Nicole Redaschi, Lydie Bougueleret, Christoph Steinbeck, Ioannis Xenarios, Alan J. Bridge

Nucleic Acids Res., 2015

SpeckTackle: JavaScript charts for spectroscopy.

Stephan Beisken, Pablo Conesa, Kenneth Haug, Reza M. Salek, Christoph Steinbeck

J. Cheminformatics, 2015

BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology.

Pablo A. Moreno, Stephan Beisken, Bhavana Harsha, Venkatesh Muthukrishnan, Ilinca Tudose, Adriano Dekker, Stefanie Dornfeldt, Franziska Taruttis, Ivo Grosse, Janna Hastings, Steffen Neumann, Christoph Steinbeck

BMC Bioinform., 2015

eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment.

Janna Hastings, Nina Jeliazkova, Gareth I. Owen, Georgia Tsiliki, Cristian R. Munteanu, Christoph Steinbeck, Egon L. Willighagen

J. Biomed. Semant., 2015

ChEBI for systems biology and metabolic modelling.

Janna Hastings, Neil Swainston, Venkatesh Muthukrishnan, Namrata Kale, Adriano Dekker, Gareth I. Owen, Steve Turner, Pedro Mendes, Christoph Steinbeck

Proceedings of the International Conference on Biomedical Ontology, 2015

2014

A molecular fragment cheminformatics roadmap for mesoscopic simulation.

Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple

J. Cheminformatics, 2014

Efficient ring perception for the Chemistry Development Kit.

John W. May, Christoph Steinbeck

J. Cheminformatics, 2014

Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking.

Kalai Vanii Jayaseelan, Christoph Steinbeck

BMC Bioinform., 2014

2013

MetaboLights - an open-access general-purpose repository for metabolomics studies and associated meta-data.

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

Nucleic Acids Res., 2013

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013.

Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Bhavana Harsha, Namrata Kale, Venkatesh Muthukrishnan, Gareth I. Owen, Steve Turner, Mark Williams, Christoph Steinbeck

Nucleic Acids Res., 2013

The EBI enzyme portal.

Rafael Alcántara, Joseph Onwubiko, Hong Cao, Paula de Matos, Jennifer A. Cham, Julius O. B. Jacobsen, Gemma L. Holliday, Julia D. Fischer, Syed Asad Rahman, Bijay Jassal, Mickael Goujon, Francis Rowland, Sameer Velankar, Rodrigo Lopez, John P. Overington, Gerard J. Kleywegt, Henning Hermjakob, Claire O'Donovan, Maria Jesus Martin, Janet M. Thornton, Christoph Steinbeck

Nucleic Acids Res., 2013

Review of "Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)" by Mikhail E Elyashberg, Antony Williams and Kirill Blinov.

Christoph Steinbeck

J. Cheminformatics, 2013

Expanding natural product chemistry resources at the EBI.

Janna Hastings, Pablo Conesa, Adriano Dekker, Marcus Ennis, Kenneth Haug, Kalai Vanii Jayaseelan, Namrata Kale, Tejasvi Mahendraker, Pablo A. Moreno, Venkatesh Muthukrishnan, Gareth I. Owen, Reza M. Salek, Steve Turner, Christoph Steinbeck

J. Cheminformatics, 2013

The Enzyme Portal: A case study in applying user-centred design methods in bioinformatics.

Paula de Matos, Jennifer A. Cham, Hong Cao, Rafael Alcántara, Francis Rowland, Rodrigo Lopez, Christoph Steinbeck

BMC Bioinform., 2013

KNIME-CDK: Workflow-driven Cheminformatics.

Stephan Beisken, Thorsten Meinl, Bernd Wiswedel, Luis F. de Figueiredo, Michael R. Berthold, Christoph Steinbeck

BMC Bioinform., 2013

OntoQuery: easy-to-use web-based OWL querying.

Ilinca Tudose, Janna Hastings, Venkatesh Muthukrishnan, Gareth I. Owen, Steve Turner, Adriano Dekker, Namrata Kale, Marcus Ennis, Christoph Steinbeck

Bioinform., 2013

Metingear: a development environment for annotating genome-scale metabolic models.

John W. May, A. Gordon James, Christoph Steinbeck

Bioinform., 2013

The MetaboLights repository: curation challenges in metabolomics.

Reza M. Salek, Kenneth Haug, Pablo Conesa, Janna Hastings, Mark Williams, Tejasvi Mahendraker, Eamonn Maguire, Alejandra N. González-Beltrán, Philippe Rocca-Serra, Susanna-Assunta Sansone, Christoph Steinbeck

Database J. Biol. Databases Curation, 2013

An Ontology for Drug-drug Interactions.

María Herrero-Zazo, Janna Hastings, Isabel Segura-Bedmar, Samuel Croset, Paloma Martínez, Christoph Steinbeck

Proceedings of the 6th International Workshop on Semantic Web Applications and Tools for Life Sciences, 2013

2012

Bioinformatics Meets User-Centred Design: A Perspective.

Katrina Pavelin, Jennifer A. Cham, Paula de Matos, Catherine Brooksbank, Graham Cameron, Christoph Steinbeck

PLoS Comput. Biol., 2012

Rhea - a manually curated resource of biochemical reactions.

Rafael Alcántara, Kristian B. Axelsen, Anne Morgat, Eugeni Belda, Elisabeth Coudert, Alan J. Bridge, Hong Cao, Paula de Matos, Marcus Ennis, Steve Turner, Gareth I. Owen, Lydie Bougueleret, Ioannis Xenarios, Christoph Steinbeck

Nucleic Acids Res., 2012

Structure-based classification and ontology in chemistry.

Janna Hastings, Despoina Magka, Colin R. Batchelor, Lian Duan, Robert Stevens, Marcus Ennis, Christoph Steinbeck

J. Cheminformatics, 2012

Structured chemical class definitions and automated matching for chemical ontology evolution.

Lian Duan, Janna Hastings, Paula de Matos, Marcus Ennis, Christoph Steinbeck

J. Cheminformatics, 2012

Natural product-likeness score revisited: an open-source, open-data implementation.

Kalai Vanii, Pablo A. Moreno, Andreas Truszkowski, Peter Ertl, Christoph Steinbeck

BMC Bioinform., 2012

Self-organizing ontology of biochemically relevant small molecules.

Leonid L. Chepelev, Janna Hastings, Marcus Ennis, Christoph Steinbeck, Michel Dumontier

BMC Bioinform., 2012

Modular Extensions to the ChEBI Ontology.

Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Venkatesh Muthukrishnan, Steve Turner, Gareth I. Owen, Christoph Steinbeck

Proceedings of the 3rd International Conference on Biomedical Ontology (ICBO 2012), 2012

2011

CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution.

Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck

J. Cheminformatics, 2011

New developments on the cheminformatics open workflow environment CDK-Taverna.

Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck

J. Cheminformatics, 2011

Computational metabolomics - a field at the boundaries of cheminformatics and bioinformatics.

Christoph Steinbeck, Stefan Kuhn, Kalai Vanii Jayaseelan, Pablo A. Moreno

J. Cheminformatics, 2011

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.

Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust

J. Cheminformatics, 2011

Towards automated metabolome assembly: application of text mining to correlate small molecules, targets and tissues.

Pablo A. Moreno, Kalai Vanii Jayaseelan, Christoph Steinbeck

J. Cheminformatics, 2011

Chemical ontologies: what are they, what are they for and what are the challenges.

Janna Hastings, Nico Adams, Marcus Ennis, Duncan Hull, Christoph Steinbeck

J. Cheminformatics, 2011

Modularization Requirements in Bio-Ontologies: A Case Study of ChEbi.

Janna Hastings, Colin R. Batchelor, Christoph Steinbeck, Stefan Schulz

Proceedings of the Modular Ontologies - Proceedings of the Fifth International Workshop, 2011

Modelling Threshold Phenomena in OWL: Metabolite Concentrations as Evidence For Disorders.

Janna Hastings, Ludger Jansen, Christoph Steinbeck, Stefan Schulz

Proceedings of the 8th International Workshop on OWL: Experiences and Directions (OWLED 2011), 2011

Use of Multiple Ontologies to Characterize the Bioactivity of Small Molecules.

Ying Yan, Janna Hastings, Jee-Hyub Kim, Stefan Schulz, Christoph Steinbeck, Dietrich Rebholz-Schuhmann

Proceedings of the 2nd International Conference on Biomedical Ontology, 2011

Recent Developments in the ChEBI Ontology.

Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Kenneth Haug, Zara Josephs, Gareth I. Owen, Steve Turner, Christoph Steinbeck

Proceedings of the 2nd International Conference on Biomedical Ontology, 2011

What's in an 'is about' Link? Chemical Diagrams and the Information Artifact Ontology.

Janna Hastings, Colin R. Batchelor, Fabian Neuhaus, Christoph Steinbeck

Proceedings of the 2nd International Conference on Biomedical Ontology, 2011

2010

Chemical Entities of Biological Interest: an update.

Paula de Matos, Rafael Alcántara, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Inmaculada Spiteri, Steve Turner, Christoph Steinbeck

Nucleic Acids Res., 2010

OrChem: an open source chemistry search engine for Oracle.

Mark Rijnbeek, Christoph Steinbeck

J. Cheminformatics, 2010

ChEBI: a chemistry ontology and database.

Paula de Matos, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Steve Turner, Christoph Steinbeck

J. Cheminformatics, 2010

Progress on an open source computer-assisted structure elucidation suite (SENECA).

Stefan Kuhn, Christoph Steinbeck

J. Cheminformatics, 2010

Molecular fragments chemoinformatics.

Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny

J. Cheminformatics, 2010

CDK-Taverna: an open workflow environment for cheminformatics.

Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck

BMC Bioinform., 2010

Representing Chemicals Using OWL, Description Graphs and Rules.

Janna Hastings, Michel Dumontier, Duncan Hull, Matthew Horridge, Christoph Steinbeck, Robert Stevens, Ulrike Sattler, Tertia Hörne, Katarina Britz

Proceedings of the 7th International Workshop on OWL: Experiences and Directions (OWLED 2010), 2010

What are chemical structures and their relations?

Janna Hastings, Colin R. Batchelor, Christoph Steinbeck, Stefan Schulz

Proceedings of the Formal Ontology in Information Systems, 2010

Ontological dependence, dispositions and institutional reality in chemistry.

Colin R. Batchelor, Janna Hastings, Christoph Steinbeck

Proceedings of the Formal Ontology in Information Systems, 2010

2009

OrChem - An open source chemistry search engine for Oracle^®.

Mark Rijnbeek, Christoph Steinbeck

J. Cheminformatics, 2009

Bioclipse 2: A scriptable integration platform for the life sciences.

Ola Spjuth, Jonathan Alvarsson, Arvid Berg, Martin Eklund, Stefan Kuhn, Carl Mäsak, Gilleain M. Torrance, Johannes Wagener, Egon L. Willighagen, Christoph Steinbeck, Jarl E. S. Wikberg

BMC Bioinform., 2009

Semantic access to chemistry data with the ChEBI ontology and web services.

Nico Adams, Paula de Matos, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Duncan Hull, Zara Josephs, Pablo A. Moreno, Steve Turner, Christoph Steinbeck

Proceedings of the Workshop on Semantic Web Applications and Tools for Life Sciences, 2009

2008

Performance Validation of Neural Network Based ¹³C NMR Prediction Using a Publicly Available Data Source.

K. A. Blinov, Y. D. Smurnyy, M. E. Elyashberg, T. S. Churanova, M. Kvasha, Christoph Steinbeck, B. A. Lefebvre, A. J. Williams

J. Chem. Inf. Model., 2008

Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction.

Stefan Kuhn, Björn Egert, Steffen Neumann, Christoph Steinbeck

BMC Bioinform., 2008

The ChEBI Ontology: An Ontology for Chemistry within a Biological Context.

Janna Hastings, Kirill Degtyarenko, Paula de Matos, Marcus Ennis, Christoph Steinbeck

Proceedings of the Workshop on Semantic Web Applications and Tools for Life Sciences ( SWAT4LS ) Edinburgh, 2008

2007

Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an XML Vocabulary for Spectral Data.

Stefan Kuhn, Tobias Helmus, Robert J. Lancashire, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Egon L. Willighagen

J. Chem. Inf. Model., 2007

Userscripts for the Life Sciences.

Egon L. Willighagen, Noel M. O'Boyle, Harini Gopalakrishnan, Dazhi Jiao, Rajarshi Guha, Christoph Steinbeck, David J. Wild

BMC Bioinform., 2007

Bioclipse: an open source workbench for chemo- and bioinformatics.

Ola Spjuth, Tobias Helmus, Egon L. Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter Murray-Rust, Christoph Steinbeck, Jarl E. S. Wikberg

BMC Bioinform., 2007

2006

The Blue Obelisk-Interoperability in Chemical Informatics.

Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen

J. Chem. Inf. Model., 2006

2004

Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation.

Yongquan Han, Christoph Steinbeck

J. Chem. Inf. Model., 2004

2003

NMRShiftDB-Constructing a Free Chemical Information System with Open-Source Components.

Christoph Steinbeck, Stefan Krause, Stefan Kuhn

J. Chem. Inf. Comput. Sci., 2003

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics.

Christoph Steinbeck, Yongquan Han, Stefan Kuhn, Oliver Horlacher, Edgar Luttmann, Egon L. Willighagen

J. Chem. Inf. Comput. Sci., 2003

2001

SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry.

Christoph Steinbeck

J. Chem. Inf. Comput. Sci., 2001

1997

MASP-A Program Predicting Mass Spectra of Combinatorial Libraries.

Christoph Steinbeck, Kurt Berlin, Clemens Richert

J. Chem. Inf. Comput. Sci., 1997

1995

LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie.

Christoph Steinbeck

PhD thesis, 1995