Christoph Steinbeck

Christoph Steinbeck's AcademicInfluence.com Rankings

Christoph Steinbeck

Chemistry

#675

World Rank

#1144

Historical Rank

Organic Chemistry

#943

World Rank

#1060

Historical Rank

chemistry Degrees

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Chemistry

Why Is Christoph Steinbeck Influential?

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According to Wikipedia, Christoph Steinbeck is a German chemist and has a professorship for analytical chemistry, cheminformatics and chemometrics at the Friedrich-Schiller-Universität Jena in Thuringia. Education Steinbeck received his PhD from the University of Bonn in 1995 for work on LUCY, a software program for structural elucidation from nuclear magnetic resonance correlation experiments. In 2003 he received his habilitation.

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Christoph Steinbeck's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo-and Bioinformatics (2003) (919)
ChEBI in 2016: Improved services and an expanding collection of metabolites (2015) (606)
MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data (2012) (577)
The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013 (2012) (576)
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy (2016) (548)
Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. (2006) (447)
Toward interoperable bioscience data (2012) (388)
The Blue Obelisk—Interoperability in Chemical Informatics (2006) (387)
Chemical Entities of Biological Interest: an update (2009) (319)
The role of reporting standards for metabolite annotation and identification in metabolomic studies (2013) (283)
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching (2017) (275)
Review on natural products databases: where to find data in 2020 (2020) (175)
Navigating freely-available software tools for metabolomics analysis (2017) (156)
MetaboLights: An Open‐Access Database Repository for Metabolomics Data (2016) (137)
Bioclipse: an open source workbench for chemo- and bioinformatics (2007) (131)
COCONUT online: Collection of Open Natural Products database (2020) (128)
COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (2015) (121)
KNIME-CDK: Workflow-driven cheminformatics (2013) (121)
NMRShiftDB-Constructing a Free Chemical Information System with Open-Source Components (2003) (118)
Discovering and linking public omics data sets using the Omics Discovery Index (2017) (115)
Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction (2008) (114)
Recommendations and Standardization of Biomarker Quantification Using NMR-Based Metabolomics with Particular Focus on Urinary Analysis (2016) (111)
PhenoMeNal: processing and analysis of metabolomics data in the cloud (2018) (110)
Data standards can boost metabolomics research, and if there is a will, there is a way (2015) (110)
The mzTab Data Exchange Format: Communicating Mass-spectrometry-based Proteomics and Metabolomics Experimental Results to a Wider Audience* (2014) (108)
The Chemical Information Ontology: Provenance and Disambiguation for Chemical Data on the Biological Semantic Web (2011) (100)
NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database. (2004) (95)
Genome-Wide Association Study of Metabolic Traits Reveals Novel Gene-Metabolite-Disease Links (2014) (94)
Recent developments in automated structure elucidation of natural products. (2004) (88)
Rhea—a manually curated resource of biochemical reactions (2011) (88)
Minimum information about a bioactive entity (MIABE) (2011) (84)
MetaboLights: towards a new COSMOS of metabolomics data management (2012) (82)
Current Challenges in Plant Eco-Metabolomics (2018) (82)
LipidHome: A Database of Theoretical Lipids Optimized for High Throughput Mass Spectrometry Lipidomics (2013) (73)
eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment (2015) (71)
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on (2011) (70)
Reaction Decoder Tool (RDT): extracting features from chemical reactions (2016) (70)
JChemPaint - Using the collaborative forces of the Internet to develop a free editor for 2D chemical structures (2000) (69)
Bioclipse 2: A scriptable integration platform for the life sciences (2009) (66)
Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy (2016) (61)
Standards for Reporting Enzyme Data: The STRENDA Consortium: What it aims to do and why it should be helpful (2014) (61)
Structure-based classification and ontology in chemistry (2012) (60)
Automated structure prediction of trans-acyltransferase polyketide synthase products (2019) (60)
Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology (2013) (59)
CDK-Taverna: an open workflow environment for cheminformatics (2010) (59)
Natural product-likeness score revisited: an open-source, open-data implementation (2012) (59)
A decade after the metabolomics standards initiative it's time for a revision (2017) (58)
The MetaboLights repository: curation challenges in metabolomics (2013) (57)
SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry (2001) (56)
The Time Is Right to Focus on Model Organism Metabolomes (2016) (55)
SPLASH, a hashed identifier for mass spectra (2016) (54)
Bioinformatics Meets User-Centred Design: A Perspective (2012) (54)
Compliance with minimum information guidelines in public metabolomics repositories (2017) (49)
NMReDATA, a standard to report the NMR assignment and parameters of organic compounds (2018) (48)
Alkaloids from Dactylicapnos torulosa (1994) (46)
nmrML: A Community Supported Open Data Standard for the Description, Storage, and Exchange of NMR Data. (2018) (43)
Updates in Rhea—a manually curated resource of biochemical reactions (2014) (43)
Chemical Markup, XML, and the World Wide Web, 7. CMLSpect, an XML Vocabulary for Spectral Data (2007) (40)
Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (2015) (39)
BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology (2015) (33)
Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. (2019) (32)
Global open data management in metabolomics (2017) (31)
DECIMER: towards deep learning for chemical image recognition (2020) (31)
Dissemination of metabolomics results: role of MetaboLights and COSMOS (2013) (30)
A database for chemical proteomics: ChEBI. (2012) (30)
Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source (2008) (29)
Identification of two chromenes from Calea serrata by semiautomatic structure elucidation (1997) (29)
ChEBI: a chemistry ontology and database (2010) (28)
Further isoflavonoid metabolites from Millettia griffoniana (Bail). (2001) (28)
The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics (2013) (28)
OrChem - An open source chemistry search engine for Oracle® (2009) (26)
Representing Chemicals Using OWL, Description Graphs and Rules (2010) (26)
New developments on the cheminformatics open workflow environment CDK-Taverna (2011) (25)
Efficient ring perception for the Chemistry Development Kit (2014) (24)
Metabolomics: The Stethoscope for the Twenty-First Century (2020) (24)
A review of optical chemical structure recognition tools (2020) (24)
LUCY—A Program for Structure Elucidation from NMR Correlation Experiments (1996) (24)
A large-scale protein-function database. (2010) (23)
Self-organizing ontology of biochemically relevant small molecules (2012) (22)
NaPLeS: a natural products likeness scorer—web application and database (2019) (22)
Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway. (2007) (22)
Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials. (2006) (22)
Userscripts for the Life Sciences (2007) (21)
Interoperable and scalable data analysis with microservices: applications in metabolomics (2018) (20)
libChEBI: an API for accessing the ChEBI database (2016) (20)
So what have data standards ever done for us? The view from metabolomics (2010) (20)
THE ROLE OF IONIC BACKBONES IN RNA STRUCTURE : AN UNUSUALLY STABLE NON-WATSON-CRICK DUPLEX OF A NONIONIC ANALOG IN AN APOLAR MEDIUM (1998) (20)
STOUT: SMILES to IUPAC names using neural machine translation (2020) (20)
DECIMER 1.0: deep learning for chemical image recognition using transformers (2021) (19)
The LOTUS initiative for open knowledge management in natural products research (2022) (19)
A Metadata description of the data in "A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human." (2011) (19)
The LOTUS Initiative for Open Natural Products Research: Knowledge Management through Wikidata (2021) (19)
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research (2018) (19)
An Ontology for Drug-drug Interactions (2013) (18)
Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking (2014) (18)
The EBI enzyme portal (2012) (18)
NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany (2020) (17)
A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it (2017) (16)
The future of metabolomics in ELIXIR. (2017) (15)
The future of metabolomics in ELIXIR (2017) (14)
Automated assembly of species metabolomes through data submission into a public repository (2017) (14)
In vivo and in vitro identification of Z-BOX C - a new bilirubin oxidation end product. (2018) (13)
Ontological dependence, dispositions and institutional reality in chemistry (2010) (13)
Too sweet: cheminformatics for deglycosylation in natural products (2020) (13)
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching (2017) (13)
Omics Discovery Index - Discovering and Linking Public ‘Omics’ Datasets (2016) (12)
Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation (2004) (12)
Expanding the Rubterolone Family: Intrinsic Reactivity and Directed Diversification of PKS-derived Pyrans. (2018) (12)
MassCascade: Visual Programming for LC-MS Data Processing in Metabolomics (2014) (12)
Synthesis of Carba-Porphyrinoids from Tripyrranes and Unsaturated Dialdehydes (1996) (12)
MASP-A Program Predicting Mass Spectra of Combinatorial Libraries (1997) (11)
Open Natural Products Research: Curation and Dissemination of Biological Occurrences of Chemical Structures through Wikidata (2021) (11)
Ten recommendations for software engineering in research (2014) (11)
SpeckTackle: JavaScript charts for spectroscopy (2015) (11)
Metabolic differences in ripening of Solanum lycopersicum ‘Ailsa Craig’ and three monogenic mutants (2014) (11)
A molecular fragment cheminformatics roadmap for mesoscopic simulation (2014) (11)
Metingear: a development environment for annotating genome-scale metabolic models (2013) (10)
mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data (2017) (10)
ISA API: An open platform for interoperable life science experimental metadata (2020) (10)
The automation of natural product structure elucidation. (2001) (10)
NFDI4Chem: Shaping a Digital and Cultural Change in Chemistry. (2019) (9)
The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy (2014) (9)
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK) (2019) (8)
Interoperable and scalable metabolomics data analysis with microservices (2017) (8)
DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature (2021) (8)
A Model for Collaborative Curation, The IEDB and ChEBI Curation of Non-peptidic Epitopes (2011) (8)
Processes and properties (2011) (7)
Gene Cluster Activation in a Bacterial Symbiont Leads to Halogenated Angucyclic Maduralactomycins and Spirocyclic Actinospirols. (2020) (7)
In support of the BMRB (2012) (7)
OntoQuery: easy-to-use web-based OWL querying (2013) (7)
What are chemical structures and their relations? (2010) (7)
Correlations between Chemical Structures and NMR Data (2003) (7)
MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle (2021) (6)
A 4-methyl-7-hydroxyphthalide glycoside and other constituents from Quillaja saponaria molina. (1995) (6)
Computer-Assisted Structure Elucidation (2003) (6)
Chemical ontologies: what are they, what are they for and what are the challenges (2011) (6)
What's in an 'is about' Link? Chemical Diagrams and the Information Artifact Ontology (2012) (5)
Towards automatic classification within the ChEBI ontology (2009) (5)
From Databases to Big Data (2016) (5)
A Catalog of Natural Products Occurring in Watermelon—Citrullus lanatus (2021) (4)
SENECA: A Platform‐Independent, Distributed, and Parallel System for Computer‐Assisted Structure Elucidation in Organic Chemistry. (2002) (4)
Modular Extensions to the ChEBI Ontology (2012) (4)
Recent advancements in the development of SENECA, a computer program for computer assisted structure elucidation based on a stochastic algorithm (1999) (3)
Chemical graph generators (2021) (3)
Surge: a fast open-source chemical graph generator (2021) (3)
Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database (2021) (3)
Substance concentrations as conditions for the realization of dispositions (2011) (3)
Data standards can boost metabolomics research (2015) (3)
Computational metabolomics – a field at the boundaries of cheminformatics and bioinformatics (2011) (3)
RanDepict: Random chemical structure depiction generator (2022) (3)
Recent Developments in Automated Structure Elucidation of Natural Products (2004) (3)
eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment (2015) (2)
Recent Developments in the ChEBI Ontology (2011) (2)
Progress on an open source computer-assisted structure elucidation suite (SENECA) (2010) (2)
DECIMER—hand-drawn molecule images dataset (2022) (2)
Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy (2016) (2)
High-resolution 2-dimensional protein mapping of “diploid” and “aneuploid” mammary adenocarcinomas (2004) (2)
The ChEBI Ontology: An Ontology for Chemistry within a Biological Context (2008) (2)
LUCY – ein Programm zur Konstitutionsermittlung aus NMR‐Korrelationsexperimenten (1996) (2)
Review on Chemical Graph Theory and Its Application in Computer-Assisted Structure Elucidation (2021) (2)
The LOTUS initiative for knowledge sharing in Natural Products research (2021) (2)
NFDI4Chem: Digitalen und kulturellen Wandel in der Chemie gestalten (2019) (2)
The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics (2013) (1)
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution (2011) (1)
Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices. (2022) (1)
Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov (2013) (1)
KNIME-CDK: Workflow-driven cheminformatics (2013) (1)
Creating chemo- and bioinformatics workflows, further developments within the CDK-Taverna Project (2009) (1)
Semantic access to chemistry data with the ChEBI ontology and web services (2009) (1)
Modularization Requirements in Bio-Ontologies: A Case Study of ChEbi (2011) (1)
Current challenges in eco-metabolomics (2018) (1)
Self-organizing ontology of biochemically relevant small molecules (2012) (1)
Towards automated metabolome assembly: application of text mining to correlate small molecules, targets and tissues (2011) (1)
eNanoMapper: Opportunities and challenges in using ontologies to enable data integration for nanomaterial risk assessment (2014) (1)
Molecule Set Comparator (MSC): a CDK-based open rich‐client tool for molecule set similarity evaluations (2021) (1)
Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project (2008) (1)
The future of metabolomics in ELIXIR [version 1; peer review: 2 approved, 1 approved with reservations] (2021) (1)
Scaffold Generator: a Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK) (2022) (1)
The future of metabolomics in ELIXIR [ version 2 ; peer review : 3 approved ] (2021) (1)
COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (2015) (1)
Text-based chemical information locator from the internet using commercial barcodes (2002) (1)
New open drug activity data at EBI (2009) (1)
Performance of chemical structure string representations for chemical image recognition using transformers (2021) (1)
OrChem: an open source chemistry search engine for Oracle (2010) (1)
Ontologies in Chemoinformatics (2017) (1)
Accessing and using chemical property databases. (2012) (1)
Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology (2013) (1)
Eine offene NMR-Datenbank (2005) (1)
Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation. (2004) (1)
On the Redundancy of Natural Products Public Databases and Where to Find Data in 2020 - A Review on Natural Products Databases (2019) (1)
Sherlock—A Free and Open-Source System for the Computer-Assisted Structure Elucidation of Organic Compounds from NMR Data (2023) (1)
The Millettia of Cameroon. Part 11. Further Isoflavonoid Metabolites from Millettia griffoniana (Bail). (2001) (0)
Open data and algorithms for open science in AI-driven molecular informatics. (2023) (0)
An algorithm to classify homologous series within compound datasets (2022) (0)
Data standards can boost metabolomics research, and if there is a will, there is a way (2015) (0)
JChem: Searching and Managing Structures using Web Browsers (1999) (0)
Meet the Editors-in-Chief (2020) (0)
Draft genome assembly and sequencing dataset of the marine diatom Skeletonema cf. costatum RCC75 (2022) (0)
BiNChE: A web tool and library for chemical enrichment analysis based on the ChEBI ontology (2015) (0)
Deliverable 5.2-A beta-version of PhenoMeNal integration VMI capable of proof- of-concept integration with other VMIs. Initial services online supporting PhenoMeNal data standards (2016) (0)
Chemistry Consortium NFDI4Chem - Poster from the 1st NFDI-Conference (2019) (0)
Components for computer-assisted structure elucidation (2009) (0)
Fachgruppen und Arbeitskreise (2008) (0)
Navigating freely-available software tools for metabolomics analysis (2017) (0)
A lost opportunity for science: journals promote data sharing in metabolomics but do not enforce it (2017) (0)
MASP ‐ A Program Predicting Mass Spectra of Combinatorial Libraries. (1997) (0)
Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access (2015) (0)
Notes on the Treatment of Charged Particles for Studying Cyclotide/Membrane Interactions with Dissipative Particle Dynamics (2022) (0)
Frontispiece: Expanding the Rubterolone Family: Intrinsic Reactivity and Directed Diversification of PKS-derived Pyrans (2018) (0)
Modelling Threshold Phenomena in OWL: Metabolite Concentrations as Evidence For Disorders (2011) (0)
Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group (2012) (0)
ChEBI for systems biology and metabolic modelling (2015) (0)
Communication: An Information System for Proteochemometrics (2005) (0)
Notes on molecular fragmentation and parameter settings for a dissipative particle dynamics study of a C10E4/water mixture with lamellar bilayer formation (2023) (0)
ChEBI – an Open-access Chemistry Resource for the Life Sciences:Facilities for On-line Submission and Curation (2010) (0)
Towards standard, accessible and reproducible Metabolomics. (2016) (0)
FAIR data in metabolomics (2017) (0)
MetaboLights: towards a new COSMOS of metabolomics data management (2012) (0)
Structured chemical class definitions and automated matching for chemical ontology evolution (2012) (0)
Substance class annotation for long candidate lists in metabolite identification using structural ontologies (2017) (0)
Epitopes in ChEBI – A Collaboration with the IEDB (2010) (0)
Molecular fragments chemoinformatics (2010) (0)
LUCY ‐ A Program for Constitutional Determination with NMR Correlation Experiments. (1996) (0)
Softwarean open workflow environment for cheminformatics (2010) (0)
Harnessing ontologies (2016) (0)
CINF 101-Reviving analytical data of the past with open submission databases and text mining tools (2006) (0)
MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry (2023) (0)
Use of Multiple Ontologies to Characterize the Bioactivity of Small Molecules (2011) (0)
Ontologies in Cheminformatics (2016) (0)
Natural product-likeness score revisited: an open-source, open-data implementation (2012) (0)
What’s new and what’s changing in ChEBI in 2011 (2011) (0)
A cross-platform format to associate NMR-extracted data (NMReDATA) to chemical structures (2018) (0)
Chemical Ontologies for Standardization, Knowledge Discovery, and Data Mining (2013) (0)
Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking (2014) (0)
MORTAR: a rich client application for in silico molecule fragmentation (2023) (0)
NFDI4Chem—A Research Data Network for International Chemistry (2023) (0)
Toward a Framework for Integrative, FAIR, and Reproducible Management of Data on the Dynamic Balance of Microbial Communities (2022) (0)
Ring searching and aromaticity detection (2011) (0)
Expanding natural product chemistry resources at the EBI (2013) (0)
8. Vorlesung (06.06.2018): Peak Picking, Lokale Maxima (2018) (0)
LUCY, ein Programm zur Konstitutionsbestimmung aus Korrelations-NMR-Experimenten sowie Beispiele zur Identifizierung von Naturstoffen durch NMR-Spektroskopie (1995) (0)
7. Vorlesung (23.05.2018): Baseline Correction, Peak Alignment (2018) (0)
11. Vorlesung (27.06.2018): Statistik (2018) (0)
Frankfurt — in letzter Minute (2009) (0)
5. Vorlesung (09.05.2018): Programmiersprachen in der Wissenschaft (2018) (0)
9. Vorlesung (07.06.2018): Kontrollierte Vokabulare und Ontologien (2018) (0)
2. Vorlesung (18.04.2018): Metabolomics Data Science (2018) (0)
Theorie und Praxis: Systems Biology in Practice. Von E. Klipp, R. Herwig, A. Kowald, C. Wierling, H. Lehrach. Wiley‐VCH, Weinheim 2005. 465 Seiten. geb., 99,‐Euro. ISBN 3‐527‐31078‐9 (2006) (0)
Ulm – in letzter Minute (2007) (0)

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Christoph Steinbeck's Academic­Influence.com Rankings