Christoph Steinbeck

104 papers B 1C 2Journal 86Unranked 14
YearRankTypeTitle / Venue / Authors
2025 J jnl
Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis.
J. Cheminformatics
Kohulan Rajan, Venkata Chandrasekhar, Nisha Sharma, Sri Ram Sagar Kanakam, Felix Bänsch, Christoph Steinbeck
2025 — conf
Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation.
ICANN (5)
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2025 J jnl
The evolution of open science in cheminformatics: a journey from closed systems to collaborative innovation.
J. Cheminformatics
Christoph Steinbeck
2024 J jnl
Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture.
J. Cheminformatics
Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
2024 J jnl
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package.
J. Cheminformatics
Felix Bänsch, Mirco Daniel, Harald Lanig, Christoph Steinbeck, Achim Zielesny
2024 J jnl
STOUT V2.0: SMILES to IUPAC name conversion using transformer models.
J. Cheminformatics
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2023 J jnl
Cheminformatics Microservice: unifying access to open cheminformatics toolkits.
J. Cheminformatics
Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan
2023 — conf
Digitalizing the Chemical Landscape: A Comprehensive Overview and Progress Report of NFDI4Chem.
CoRDI
Oliver Koepler, Christoph Steinbeck, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes Liermann, Steffen Neumann, Matthias Razum
2023 — conf
Harmonising, Harvesting, and Searching Metadata Across a Repository Federation.
CoRDI
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
2023 J jnl
MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.
J. Cheminformatics
Mahnoor Zulfiqar, Luiz M. R. Gadelha Jr., Christoph Steinbeck, Maria Sorokina, Kristian Peters
2023 J jnl
MORTAR: a rich client application for in silico molecule fragmentation.
J. Cheminformatics
Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny
2023 J jnl
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C
J. Cheminformatics
Felix Bänsch, Christoph Steinbeck, Achim Zielesny
2022 J jnl
An algorithm to classify homologous series within compound datasets.
J. Cheminformatics
Adelene Lai, Jonas Schaub, Christoph Steinbeck, Emma Schymanski
2022 J jnl
DECIMER - hand-drawn molecule images dataset.
J. Cheminformatics
Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan
2022 J jnl
RanDepict: Random chemical structure depiction generator.
J. Cheminformatics
Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2022 J jnl
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).
J. Cheminformatics
Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck
2022 J jnl
Surge: a fast open-source chemical graph generator.
J. Cheminformatics
Brendan D. McKay, Mehmet Aziz Yirik, Christoph Steinbeck
2022 B conf
Toward a Framework for Integrative, FAIR, and Reproducible Management of Data on the Dynamic Balance of Microbial Communities.
e-Science
Luiz M. R. Gadelha Jr., Martin Hohmuth, Mahnoor Zulfiqar, David Schöne, Sheeba Samuel, Maria Sorokina, Christoph Steinbeck, Birgitta König-Ries
2022 J jnl
Toward a Framework for Integrative, FAIR, and Reproducible Management of Data on the Dynamic Balance of Microbial Communities.
CoRR
Luiz M. R. Gadelha Jr., Martin Hohmuth, Mahnoor Zulfiqar, David Schöne, Sheeba Samuel, Maria Sorokina, Christoph Steinbeck, Birgitta König-Ries
2021 J jnl
COCONUT online: Collection of Open Natural Products database.
J. Cheminformatics
Maria Sorokina, Peter Merseburger, Kohulan Rajan, Mehmet Aziz Yirik, Christoph Steinbeck
2021 J jnl
Chemical graph generators.
PLoS Comput. Biol.
Mehmet Aziz Yirik, Christoph Steinbeck
2021 J jnl
DECIMER 1.0: deep learning for chemical image recognition using transformers.
J. Cheminformatics
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2021 J jnl
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.
J. Cheminformatics
Kohulan Rajan, Henning Otto Brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck
2021 J jnl
MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.
J. Cheminformatics
Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck
2021 J jnl
Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.
J. Cheminformatics
Kohulan Rajan, Jan-Mathis Hein, Christoph Steinbeck, Achim Zielesny
2021 J jnl
STOUT: SMILES to IUPAC names using neural machine translation.
J. Cheminformatics
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2020 J jnl
A review of optical chemical structure recognition tools.
J. Cheminformatics
Kohulan Rajan, Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck
2020 J jnl
DECIMER: towards deep learning for chemical image recognition.
J. Cheminformatics
Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
2020 J jnl
Review on natural products databases: where to find data in 2020.
J. Cheminformatics
Maria Sorokina, Christoph Steinbeck
2020 J jnl
Too sweet: cheminformatics for deglycosylation in natural products.
J. Cheminformatics
Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina
2019 J jnl
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK).
J. Cheminformatics
Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny
2019 J jnl
Interoperable and scalable data analysis with microservices: applications in metabolomics.
Bioinform.
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
2019 J jnl
NaPLeS: a natural products likeness scorer - web application and database.
J. Cheminformatics
Maria Sorokina, Christoph Steinbeck
2017 J jnl
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2017 J jnl
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2017 J jnl
The future of metabolomics in ELIXIR.
F1000Research
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
2017 J jnl
mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data.
Bioinform.
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
2016 J jnl
ChEBI in 2016: Improved services and an expanding collection of metabolites.
Nucleic Acids Res.
Janna Hastings, Gareth I. Owen, Adriano Dekker, Marcus Ennis, Namrata Kale, Venkatesh Muthukrishnan, Steve Turner, Neil Swainston, Pedro Mendes, Christoph Steinbeck
2016 J jnl
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
J. Cheminformatics
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
2016 J jnl
Reaction Decoder Tool (RDT): extracting features from chemical reactions.
Bioinform.
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
2016 J jnl
libChEBI: an API for accessing the ChEBI database.
J. Cheminformatics
Neil Swainston, Janna Hastings, Adriano Dekker, Venkatesh Muthukrishnan, John W. May, Christoph Steinbeck, Pedro Mendes
2015 J jnl
BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology.
BMC Bioinform.
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
2015 — conf
ChEBI for systems biology and metabolic modelling.
ICBO
Janna Hastings, Neil Swainston, Venkatesh Muthukrishnan, Namrata Kale, Adriano Dekker, Gareth I. Owen, Steve Turner, Pedro Mendes, Christoph Steinbeck
2015 J jnl
SpeckTackle: JavaScript charts for spectroscopy.
J. Cheminformatics
Stephan Beisken, Pablo Conesa, Kenneth Haug, Reza M. Salek, Christoph Steinbeck
2015 J jnl
Updates in Rhea - a manually curated resource of biochemical reactions.
Nucleic Acids Res.
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
2015 J jnl
eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment.
J. Biomed. Semant.
Janna Hastings, Nina Jeliazkova, Gareth I. Owen, Georgia Tsiliki, Cristian R. Munteanu, Christoph Steinbeck, Egon L. Willighagen
2014 J jnl
A molecular fragment cheminformatics roadmap for mesoscopic simulation.
J. Cheminformatics
Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny, Matthias Epple
2014 J jnl
Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking.
BMC Bioinform.
Kalai Vanii Jayaseelan, Christoph Steinbeck
2014 J jnl
Efficient ring perception for the Chemistry Development Kit.
J. Cheminformatics
John W. May, Christoph Steinbeck
2013 — conf
An Ontology for Drug-drug Interactions.
SWAT4LS
María Herrero-Zazo, Janna Hastings, Isabel Segura-Bedmar, Samuel Croset, Paloma Martínez, Christoph Steinbeck
2013 J jnl
Expanding natural product chemistry resources at the EBI.
J. Cheminformatics
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
2013 J jnl
KNIME-CDK: Workflow-driven Cheminformatics.
BMC Bioinform.
Stephan Beisken, Thorsten Meinl, Bernd Wiswedel, Luis F. de Figueiredo, Michael R. Berthold, Christoph Steinbeck
2013 J jnl
MetaboLights - an open-access general-purpose repository for metabolomics studies and associated meta-data.
Nucleic Acids Res.
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
2013 J jnl
Metingear: a development environment for annotating genome-scale metabolic models.
Bioinform.
John W. May, A. Gordon James, Christoph Steinbeck
2013 J jnl
OntoQuery: easy-to-use web-based OWL querying.
Bioinform.
Ilinca Tudose, Janna Hastings, Venkatesh Muthukrishnan, Gareth I. Owen, Steve Turner, Adriano Dekker, Namrata Kale, Marcus Ennis, Christoph Steinbeck
2013 J jnl
Review of "Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)" by Mikhail E Elyashberg, Antony Williams and Kirill Blinov.
J. Cheminformatics
Christoph Steinbeck
2013 J jnl
The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013.
Nucleic Acids Res.
Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Bhavana Harsha, Namrata Kale, Venkatesh Muthukrishnan, Gareth I. Owen, Steve Turner, Mark Williams, Christoph Steinbeck
2013 J jnl
The EBI enzyme portal.
Nucleic Acids Res.
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
2013 J jnl
The Enzyme Portal: A case study in applying user-centred design methods in bioinformatics.
BMC Bioinform.
Paula de Matos, Jennifer A. Cham, Hong Cao, Rafael Alcántara, Francis Rowland, Rodrigo Lopez, Christoph Steinbeck
2013 J jnl
The MetaboLights repository: curation challenges in metabolomics.
Database J. Biol. Databases Curation
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
2012 J jnl
Bioinformatics Meets User-Centred Design: A Perspective.
PLoS Comput. Biol.
Katrina Pavelin, Jennifer A. Cham, Paula de Matos, Catherine Brooksbank, Graham Cameron, Christoph Steinbeck
2012 — conf
Modular Extensions to the ChEBI Ontology.
ICBO
Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Venkatesh Muthukrishnan, Steve Turner, Gareth I. Owen, Christoph Steinbeck
2012 J jnl
Natural product-likeness score revisited: an open-source, open-data implementation.
BMC Bioinform.
Kalai Vanii, Pablo A. Moreno, Andreas Truszkowski, Peter Ertl, Christoph Steinbeck
2012 J jnl
Rhea - a manually curated resource of biochemical reactions.
Nucleic Acids Res.
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
2012 J jnl
Self-organizing ontology of biochemically relevant small molecules.
BMC Bioinform.
Leonid L. Chepelev, Janna Hastings, Marcus Ennis, Christoph Steinbeck, Michel Dumontier
2012 J jnl
Structure-based classification and ontology in chemistry.
J. Cheminformatics
Janna Hastings, Despoina Magka, Colin R. Batchelor, Lian Duan, Robert Stevens, Marcus Ennis, Christoph Steinbeck
2012 J jnl
Structured chemical class definitions and automated matching for chemical ontology evolution.
J. Cheminformatics
Lian Duan, Janna Hastings, Paula de Matos, Marcus Ennis, Christoph Steinbeck
2012 J jnl
What's in an 'is about' link? Chemical diagrams and the Information Artifact Ontology
CoRR
Janna Hastings, Colin R. Batchelor, Fabian Neuhaus, Christoph Steinbeck
2011 J jnl
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution.
J. Cheminformatics
Andreas Truszkowski, Stefan Neumann, Achim Zielesny, Egon L. Willighagen, Christoph Steinbeck
2011 J jnl
Chemical ontologies: what are they, what are they for and what are the challenges.
J. Cheminformatics
Janna Hastings, Nico Adams, Marcus Ennis, Duncan Hull, Christoph Steinbeck
2011 J jnl
Computational metabolomics - a field at the boundaries of cheminformatics and bioinformatics.
J. Cheminformatics
Christoph Steinbeck, Stefan Kuhn, Kalai Vanii Jayaseelan, Pablo A. Moreno
2011 — conf
Modelling Threshold Phenomena in OWL: Metabolite Concentrations as Evidence For Disorders.
OWLED
Janna Hastings, Ludger Jansen, Christoph Steinbeck, Stefan Schulz
2011 — conf
Modularization Requirements in Bio-Ontologies: A Case Study of ChEbi.
WoMO
Janna Hastings, Colin R. Batchelor, Christoph Steinbeck, Stefan Schulz
2011 J jnl
New developments on the cheminformatics open workflow environment CDK-Taverna.
J. Cheminformatics
Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
2011 J jnl
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
J. Cheminformatics
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
2011 — conf
Recent Developments in the ChEBI Ontology.
ICBO
Janna Hastings, Paula de Matos, Adriano Dekker, Marcus Ennis, Kenneth Haug, Zara Josephs, Gareth I. Owen, Steve Turner, Christoph Steinbeck
2011 J jnl
Towards automated metabolome assembly: application of text mining to correlate small molecules, targets and tissues.
J. Cheminformatics
Pablo A. Moreno, Kalai Vanii Jayaseelan, Christoph Steinbeck
2011 — conf
Use of Multiple Ontologies to Characterize the Bioactivity of Small Molecules.
ICBO
Ying Yan, Janna Hastings, Jee-Hyub Kim, Stefan Schulz, Christoph Steinbeck, Dietrich Rebholz-Schuhmann
2011 — conf
What's in an 'is about' Link? Chemical Diagrams and the Information Artifact Ontology.
ICBO
Janna Hastings, Colin R. Batchelor, Fabian Neuhaus, Christoph Steinbeck
2010 J jnl
CDK-Taverna: an open workflow environment for cheminformatics.
BMC Bioinform.
Thomas Kuhn, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck
2010 J jnl
ChEBI: a chemistry ontology and database.
J. Cheminformatics
Paula de Matos, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Steve Turner, Christoph Steinbeck
2010 J jnl
Chemical Entities of Biological Interest: an update.
Nucleic Acids Res.
Paula de Matos, Rafael Alcántara, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Inmaculada Spiteri, Steve Turner, Christoph Steinbeck
2010 J jnl
Molecular fragments chemoinformatics.
J. Cheminformatics
Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Carsten Wittekindt, Achim Zielesny
2010 C conf
Ontological dependence, dispositions and institutional reality in chemistry.
FOIS
Colin R. Batchelor, Janna Hastings, Christoph Steinbeck
2010 J jnl
OrChem: an open source chemistry search engine for Oracle.
J. Cheminformatics
Mark Rijnbeek, Christoph Steinbeck
2010 J jnl
Progress on an open source computer-assisted structure elucidation suite (SENECA).
J. Cheminformatics
Stefan Kuhn, Christoph Steinbeck
2010 — conf
Representing Chemicals Using OWL, Description Graphs and Rules.
OWLED
Janna Hastings, Michel Dumontier, Duncan Hull, Matthew Horridge, Christoph Steinbeck, Robert Stevens, Ulrike Sattler, Tertia Hörne, Katarina Britz
2010 C conf
What are chemical structures and their relations?
FOIS
Janna Hastings, Colin R. Batchelor, Christoph Steinbeck, Stefan Schulz
2009 J jnl
Bioclipse 2: A scriptable integration platform for the life sciences.
BMC Bioinform.
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
2009 J jnl
OrChem - An open source chemistry search engine for Oracle
J. Cheminformatics
Mark Rijnbeek, Christoph Steinbeck
2009 — conf
Semantic access to chemistry data with the ChEBI ontology and web services.
SWAT4LS
Nico Adams, Paula de Matos, Adriano Dekker, Marcus Ennis, Janna Hastings, Kenneth Haug, Duncan Hull, Zara Josephs, Pablo A. Moreno, Steve Turner, Christoph Steinbeck
2008 J jnl
Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction.
BMC Bioinform.
Stefan Kuhn, Björn Egert, Steffen Neumann, Christoph Steinbeck
2008 J jnl
Performance Validation of Neural Network Based
J. Chem. Inf. Model.
K. A. Blinov, Y. D. Smurnyy, M. E. Elyashberg, T. S. Churanova, M. Kvasha, Christoph Steinbeck, B. A. Lefebvre, A. J. Williams
2008 — conf
The ChEBI Ontology: An Ontology for Chemistry within a Biological Context.
SWAT4LS
Janna Hastings, Kirill Degtyarenko, Paula de Matos, Marcus Ennis, Christoph Steinbeck
2007 J jnl
Bioclipse: an open source workbench for chemo- and bioinformatics.
BMC Bioinform.
Ola Spjuth, Tobias Helmus, Egon L. Willighagen, Stefan Kuhn, Martin Eklund, Johannes Wagener, Peter Murray-Rust, Christoph Steinbeck, Jarl E. S. Wikberg
2007 J jnl
Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an XML Vocabulary for Spectral Data.
J. Chem. Inf. Model.
Stefan Kuhn, Tobias Helmus, Robert J. Lancashire, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Egon L. Willighagen
2007 J jnl
Userscripts for the Life Sciences.
BMC Bioinform.
Egon L. Willighagen, Noel M. O'Boyle, Harini Gopalakrishnan, Dazhi Jiao, Rajarshi Guha, Christoph Steinbeck, David J. Wild
2006 J jnl
The Blue Obelisk-Interoperability in Chemical Informatics.
J. Chem. Inf. Model.
Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen
2004 J jnl
Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation.
J. Chem. Inf. Model.
Yongquan Han, Christoph Steinbeck
2003 J jnl
NMRShiftDB-Constructing a Free Chemical Information System with Open-Source Components.
J. Chem. Inf. Comput. Sci.
Christoph Steinbeck, Stefan Krause, Stefan Kuhn
2003 J jnl
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics.
J. Chem. Inf. Comput. Sci.
Christoph Steinbeck, Yongquan Han, Stefan Kuhn, Oliver Horlacher, Edgar Luttmann, Egon L. Willighagen
2001 J jnl
SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry.
J. Chem. Inf. Comput. Sci.
Christoph Steinbeck
1997 J jnl
MASP-A Program Predicting Mass Spectra of Combinatorial Libraries.
J. Chem. Inf. Comput. Sci.
Christoph Steinbeck, Kurt Berlin, Clemens Richert
1995 — —
LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie.
Christoph Steinbeck