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Author Details

Christoph Steinbeck
Institute for Inorganic and Analytical Chemistry, Friedrich Schiller University Jena
1986
133
45
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36593523MORTAR: a rich client application for in silico molecule fragmentation.J Cheminform2023
37598180DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications.Nat Commun2023
36771127Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data.Molecules2023
36871033MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.J Cheminform2023
36805192Open data and algorithms for open science in AI-driven molecular informatics.Curr Opin Struct Biol2023
36803857Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C<sub>10</sub>E<sub>4</sub>/water mixture with lamellar bilayer formation.J Cheminform2023
36593523MORTAR: a rich client application for in silico molecule fragmentation.J Cheminform2023
37598180DECIMER.ai: an open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications.Nat Commun2023
36805192Open data and algorithms for open science in AI-driven molecular informatics.Curr Opin Struct Biol2023
36871033MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry.J Cheminform2023
36803857Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C<sub>10</sub>E<sub>4</sub>/water mixture with lamellar bilayer formation.J Cheminform2023
36771127Sherlock-A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data.Molecules2023
35242913Draft genome assembly and sequencing dataset of the marine diatom <i>Skeletonema</i> cf. <i>costatum</i> RCC75.Data Brief2022
35461261Surge: a fast open-source chemical graph generator.J Cheminform2022
36357931Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).J Cheminform2022
36347644Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.Angew Chem Int Ed Engl2022
35736327Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics.Membranes (Basel)2022
35681226DECIMER-hand-drawn molecule images dataset.J Cheminform2022
35616633The LOTUS initiative for open knowledge management in natural products research.Elife2022
35668480RanDepict: Random chemical structure depiction generator.J Cheminform2022
36510332An algorithm to classify homologous series within compound datasets.J Cheminform2022
35242913Draft genome assembly and sequencing dataset of the marine diatom <i>Skeletonema</i> cf. <i>costatum</i> RCC75.Data Brief2022
35616633The LOTUS initiative for open knowledge management in natural products research.Elife2022
35736327Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics.Membranes (Basel)2022
35668480RanDepict: Random chemical structure depiction generator.J Cheminform2022
35461261Surge: a fast open-source chemical graph generator.J Cheminform2022
35681226DECIMER-hand-drawn molecule images dataset.J Cheminform2022
36510332An algorithm to classify homologous series within compound datasets.J Cheminform2022
36357931Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK).J Cheminform2022
36347644Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices.Angew Chem Int Ed Engl2022
33271569Metabolomics: The Stethoscope for the Twenty-First Century.Med Princ Pract2021
33804966Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database.Biomolecules2021
33906675STOUT: SMILES to IUPAC names using neural machine translation.J Cheminform2021
33685498DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.J Cheminform2021
33526050Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.J Cheminform2021
34217353MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.J Cheminform2021
33271569Metabolomics: The Stethoscope for the Twenty-First Century.Med Princ Pract2021
33423696COCONUT online: Collection of Open Natural Products database.J Cheminform2021
33400699Chemical graph generators.PLoS Comput Biol2021
34404468DECIMER 1.0: deep learning for chemical image recognition using transformers.J Cheminform2021
34595201A Catalog of Natural Products Occurring in Watermelon-<i>Citrullus lanatus</i>.Front Nutr2021
33685498DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature.J Cheminform2021
33906675STOUT: SMILES to IUPAC names using neural machine translation.J Cheminform2021
33804966Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database.Biomolecules2021
33526050Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations.J Cheminform2021
34404468DECIMER 1.0: deep learning for chemical image recognition using transformers.J Cheminform2021
34595201A Catalog of Natural Products Occurring in Watermelon-<i>Citrullus lanatus</i>.Front Nutr2021
34217353MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle.J Cheminform2021
33400699Chemical graph generators.PLoS Comput Biol2021
33423696COCONUT online: Collection of Open Natural Products database.J Cheminform2021
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Co-authored papers 20
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Co-authored papers 18
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Oxford e-Research Centre, University of Oxford
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David S Wishart
University of Alberta
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Daniel Jacob
University Bordeaux, Centre INRAE de Nouvelle-Aquitaine Bordeaux
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Eamonn Maguire
Oxford e-Research Centre, University of Oxford
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Royston Goodacre
Institute of Systems, University of Liverpool
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Ioannis Xenarios
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Ulrich L G??nther
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Release 1.2