Christoph Steinbeck


Ontology type: schema:Person     


Person Info

NAME

Christoph

SURNAME

Steinbeck

Publications in SciGraph latest 50 shown

  • 2022-11-10 Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK) in JOURNAL OF CHEMINFORMATICS
  • 2022-06-09 DECIMER—hand-drawn molecule images dataset in JOURNAL OF CHEMINFORMATICS
  • 2022-06-06 RanDepict: Random chemical structure depiction generator in JOURNAL OF CHEMINFORMATICS
  • 2022-04-23 Surge: a fast open-source chemical graph generator in JOURNAL OF CHEMINFORMATICS
  • 2021-08-17 DECIMER 1.0: deep learning for chemical image recognition using transformers in JOURNAL OF CHEMINFORMATICS
  • 2021-07-03 MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle in JOURNAL OF CHEMINFORMATICS
  • 2021-04-27 STOUT: SMILES to IUPAC names using neural machine translation in JOURNAL OF CHEMINFORMATICS
  • 2021-03-08 DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature in JOURNAL OF CHEMINFORMATICS
  • 2021-02-01 Molecule Set Comparator (MSC): a CDK-based open rich‐client tool for molecule set similarity evaluations in JOURNAL OF CHEMINFORMATICS
  • 2021-01-10 COCONUT online: Collection of Open Natural Products database in JOURNAL OF CHEMINFORMATICS
  • 2020-11-04 Too sweet: cheminformatics for deglycosylation in natural products in JOURNAL OF CHEMINFORMATICS
  • 2020-10-27 DECIMER: towards deep learning for chemical image recognition in JOURNAL OF CHEMINFORMATICS
  • 2020-10-07 A review of optical chemical structure recognition tools in JOURNAL OF CHEMINFORMATICS
  • 2020-04-03 Review on natural products databases: where to find data in 2020 in JOURNAL OF CHEMINFORMATICS
  • 2019-08-09 NaPLeS: a natural products likeness scorer—web application and database in JOURNAL OF CHEMINFORMATICS
  • 2019-07-15 Automated structure prediction of trans-acyltransferase polyketide synthase products in NATURE CHEMICAL BIOLOGY
  • 2019-06-04 ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK) in JOURNAL OF CHEMINFORMATICS
  • 2017-12-26 A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it in METABOLOMICS
  • 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
  • 2017-09-20 Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching in JOURNAL OF CHEMINFORMATICS
  • 2017-08-09 Navigating freely-available software tools for metabolomics analysis in METABOLOMICS
  • 2017-06-06 The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching in JOURNAL OF CHEMINFORMATICS
  • 2017-05-09 Discovering and linking public omics data sets using the Omics Discovery Index in NATURE BIOTECHNOLOGY
  • 2017-01-29 Ontologies in Chemoinformatics in HANDBOOK OF COMPUTATIONAL CHEMISTRY
  • 2016-12-27 Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy in METABOLOMICS
  • 2016-11-08 SPLASH, a hashed identifier for mass spectra in NATURE BIOTECHNOLOGY
  • 2016-11-04 ClassyFire: automated chemical classification with a comprehensive, computable taxonomy in JOURNAL OF CHEMINFORMATICS
  • 2016-04-21 Ontologies in Cheminformatics in HANDBOOK OF COMPUTATIONAL CHEMISTRY
  • 2016-03-01 libChEBI: an API for accessing the ChEBI database in JOURNAL OF CHEMINFORMATICS
  • 2015-11-17 Data standards can boost metabolomics research, and if there is a will, there is a way in METABOLOMICS
  • 2015-07-10 Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access in METABOLOMICS
  • 2015-05-26 COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access in METABOLOMICS
  • 2015-05-09 SpeckTackle: JavaScript charts for spectroscopy in JOURNAL OF CHEMINFORMATICS
  • 2015-03-21 eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment in JOURNAL OF BIOMEDICAL SEMANTICS
  • 2015-02-21 BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology in BMC BIOINFORMATICS
  • 2014-12-04 Ten recommendations for software engineering in research in GIGASCIENCE
  • 2014-10-04 A molecular fragment cheminformatics roadmap for mesoscopic simulation in JOURNAL OF CHEMINFORMATICS
  • 2014-09-16 Metabolic differences in ripening of Solanum lycopersicum ‘Ailsa Craig’ and three monogenic mutants in SCIENTIFIC DATA
  • 2014-07-05 Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking in BMC BIOINFORMATICS
  • 2014-01-30 Efficient ring perception for the Chemistry Development Kit in JOURNAL OF CHEMINFORMATICS
  • 2013-10-16 The role of reporting standards for metabolite annotation and identification in metabolomic studies in GIGASCIENCE
  • 2013-08-22 KNIME-CDK: Workflow-driven cheminformatics in BMC BIOINFORMATICS
  • 2013-07-29 Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology in BMC GENOMICS
  • 2013-06-03 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
  • 2013-05-17 Dissemination of metabolomics results: role of MetaboLights and COSMOS in GIGASCIENCE
  • 2013-03-22 Expanding natural product chemistry resources at the EBI in JOURNAL OF CHEMINFORMATICS
  • 2013-03-20 The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics in BMC BIOINFORMATICS
  • 2012-09-25 MetaboLights: towards a new COSMOS of metabolomics data management in METABOLOMICS
  • 2012-08-31 Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group in NATURE REVIEWS DRUG DISCOVERY
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