Christoph Steinbeck

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Publications in SciGraph latest 50 shown

  • 2018-01 A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it in METABOLOMICS
  • 2017-12 The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching in JOURNAL OF CHEMINFORMATICS
  • 2017-12 Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching in JOURNAL OF CHEMINFORMATICS
  • 2017-09-26 Compliance with minimum information guidelines in public metabolomics repositories in SCIENTIFIC DATA
  • 2017-09-26 A decade after the metabolomics standards initiative it's time for a revision in SCIENTIFIC DATA
  • 2017-09 Navigating freely-available software tools for metabolomics analysis in METABOLOMICS
  • 2017-05-09 Discovering and linking public omics data sets using the Omics Discovery Index in NATURE BIOTECHNOLOGY
  • 2017-02 Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy in METABOLOMICS
  • 2017 Ontologies in Chemoinformatics in HANDBOOK OF COMPUTATIONAL CHEMISTRY
  • 2016-12 libChEBI: an API for accessing the ChEBI database in JOURNAL OF CHEMINFORMATICS
  • 2016-12 ClassyFire: automated chemical classification with a comprehensive, computable taxonomy in JOURNAL OF CHEMINFORMATICS
  • 2016-11 SPLASH, a hashed identifier for mass spectra in NATURE BIOTECHNOLOGY
  • 2016-01 Data standards can boost metabolomics research, and if there is a will, there is a way in METABOLOMICS
  • 2016 Ontologies in Cheminformatics in HANDBOOK OF COMPUTATIONAL CHEMISTRY
  • 2015-12 Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access in METABOLOMICS
  • 2015-12 BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology in BMC BIOINFORMATICS
  • 2015-12 SpeckTackle: JavaScript charts for spectroscopy in JOURNAL OF CHEMINFORMATICS
  • 2015-12 eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment in JOURNAL OF BIOMEDICAL SEMANTICS
  • 2015-12 COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access in METABOLOMICS
  • 2014-12 Efficient ring perception for the Chemistry Development Kit in JOURNAL OF CHEMINFORMATICS
  • 2014-12 Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking in BMC BIOINFORMATICS
  • 2014-12 A molecular fragment cheminformatics roadmap for mesoscopic simulation in JOURNAL OF CHEMINFORMATICS
  • 2014-12 Ten recommendations for software engineering in research in GIGASCIENCE
  • 2014-09-16 Metabolic differences in ripening of Solanum lycopersicum ‘Ailsa Craig’ and three monogenic mutants in SCIENTIFIC DATA
  • 2013-12 Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov in JOURNAL OF CHEMINFORMATICS
  • 2013-12 The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics in BMC BIOINFORMATICS
  • 2013-12 The role of reporting standards for metabolite annotation and identification in metabolomic studies in GIGASCIENCE
  • 2013-12 Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology in BMC GENOMICS
  • 2013-12 KNIME-CDK: Workflow-driven cheminformatics in BMC BIOINFORMATICS
  • 2013-12 Dissemination of metabolomics results: role of MetaboLights and COSMOS in GIGASCIENCE
  • 2013-03 Expanding natural product chemistry resources at the EBI in JOURNAL OF CHEMINFORMATICS
  • 2012-12 Self-organizing ontology of biochemically relevant small molecules in BMC BIOINFORMATICS
  • 2012-12 Natural product-likeness score revisited: an open-source, open-data implementation in BMC BIOINFORMATICS
  • 2012-12 Structured chemical class definitions and automated matching for chemical ontology evolution in JOURNAL OF CHEMINFORMATICS
  • 2012-12 Structure-based classification and ontology in chemistry in JOURNAL OF CHEMINFORMATICS
  • 2012-10 MetaboLights: towards a new COSMOS of metabolomics data management in METABOLOMICS
  • 2012-09 Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group in NATURE REVIEWS DRUG DISCOVERY
  • 2012-09 In support of the BMRB in NATURE STRUCTURAL & MOLECULAR BIOLOGY
  • 2012-02 Toward interoperable bioscience data in NATURE GENETICS
  • 2012 Accessing and Using Chemical Property Databases in COMPUTATIONAL TOXICOLOGY
  • 2012 A Database for Chemical Proteomics: ChEBI in CHEMICAL PROTEOMICS
  • 2011-12 CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution in JOURNAL OF CHEMINFORMATICS
  • 2011-12 A Metadata description of the data in "A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human." in BMC RESEARCH NOTES
  • 2011-12 Computational metabolomics – a field at the boundaries of cheminformatics and bioinformatics in JOURNAL OF CHEMINFORMATICS
  • 2011-12 Towards automated metabolome assembly: application of text mining to correlate small molecules, targets and tissues in JOURNAL OF CHEMINFORMATICS
  • 2011-12 Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on in JOURNAL OF CHEMINFORMATICS
  • 2011-12 New developments on the cheminformatics open workflow environment CDK-Taverna in JOURNAL OF CHEMINFORMATICS
  • 2011-12 Chemical ontologies: what are they, what are they for and what are the challenges in JOURNAL OF CHEMINFORMATICS
  • 2011-09 Minimum information about a bioactive entity (MIABE) in NATURE REVIEWS DRUG DISCOVERY
  • 2010-12 CDK-Taverna: an open workflow environment for cheminformatics in BMC BIOINFORMATICS
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