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Lista de obras de Steffen Neumann

A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R

artículo científico publicado en 2022

A cross-platform toolkit for mass spectrometry and proteomics

artículo científico publicado en 2012

Annotation of metabolites from gas chromatography/atmospheric pressure chemical ionization tandem mass spectrometry data using an in silico generated compound database and MetFrag

artículo científico publicado en 2015

BiNChE: a web tool and library for chemical enrichment analysis based on the ChEBI ontology

artículo científico publicado en 2015

Bioinformatics can boost metabolomics research

artículo científico publicado en 2017

Bioschemas Resource Index for Chem and Plants

Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction

artículo científico publicado en 2008

CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

artículo científico publicado en 2011

CASMI: And the Winner is . .

artículo científico publicado en 2013

CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution

COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

artículo científico publicado en 2015

Central venous catheter-related infections in hematology and oncology: 2012 updated guidelines on diagnosis, management and prevention by the Infectious Diseases Working Party of the German Society of Hematology and Medical Oncology

artículo científico publicado en 2014

ChemFrag: Chemically meaningful annotation of fragment ion mass spectra

scientific article published on 01 November 2018

Chemical Diversity and Classification of Secondary Metabolites in Nine Bryophyte Species

artículo científico publicado en 2019

Cheminformatics for Users

chapter in a proceedings

Comparative expression profiling reveals a role of the root apoplast in local phosphate response

artículo científico publicado en 2016

Comparing bound and unbound protein structures using energy calculation and rotamer statistics.

artículo científico publicado en 2002

Computational annotation of plant metabolomics profiles via a novel network-assisted approach

article

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules ⬇️

artículo científico publicado el 9 de octubre de 2010

Computational workflow to study the seasonal variation of secondary metabolites in nine different bryophytes

Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties

artículo científico publicado en 2012

Critical Assessment of Small Molecule Identification 2016: automated methods

artículo científico publicado en 2017

Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements

artículo científico publicado en 2008

Current Challenges in Plant Eco-Metabolomics.

artículo científico publicado en 2018

Data format standards in analytical chemistry

artículo científico publicado en 2022

Data standards can boost metabolomics research, and if there is a will, there is a way

artículo científico publicado en 2016

Database driven test case generation for protein-protein docking

artículo científico publicado en 2004

Database supported candidate search for metabolite identification

artículo científico publicado el 7 de julio de 2011

Diagnosis and antimicrobial therapy of lung infiltrates in febrile neutropenic patients (allogeneic SCT excluded): updated guidelines of the Infectious Diseases Working Party (AGIHO) of the German Society of Hematology and Medical Oncology (DGHO).

artículo científico publicado en 2014

Diagnosis and empirical treatment of fever of unknown origin (FUO) in adult neutropenic patients: guidelines of the Infectious Diseases Working Party (AGIHO) of the German Society of Hematology and Medical Oncology (DGHO).

artículo científico publicado en 2017

Diagnosis and management of gastrointestinal complications in adult cancer patients: evidence-based guidelines of the Infectious Diseases Working Party (AGIHO) of the German Society of Hematology and Oncology (DGHO) ⬇️

artículo científico publicado el 10 de febrero de 2013

Digitalizing the Chemical Landscape:

artículo científico publicado en 2023

Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies.

artículo científico publicado en 2016

ELIXIR and Toxicology: a community in development

ELIXIR and Toxicology: a community in development

artículo científico publicado en 2023

Effect-directed analysis supporting monitoring of aquatic environments--An in-depth overview

artículo científico publicado en 2016

Embedding standards in metabolomics: the Metabolomics Society data standards task group

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

artículo científico publicado en 2021

Erratum to: COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

scholarly article published in Metabolomics

Expanding the use of spectral libraries in proteomics

Experiment design beyond gut feeling: statistical tests and power to detect differential metabolites in mass spectrometry data

artículo científico publicado en 2014

Feature-based molecular networking in the GNPS analysis environment

artículo científico publicado en 2020

Functional Traits 2.0: The power of the metabolome for ecology

artículo científico

Future water quality monitoring--adapting tools to deal with mixtures of pollutants in water resource management

artículo científico publicado en 2015

Galaxy-Kubernetes integration: scaling bioinformatics workflows in the cloud

Golden Mutagenesis: An efficient multi-site-saturation mutagenesis approach by Golden Gate cloning with automated primer design

artículo científico publicado en 2019

Highly sensitive feature detection for high resolution LC/MS

artículo científico publicado en 2008

Host Tree and Geography Induce Metabolic Shifts in the Epiphytic Liverwort Radula complanata

scientific article published in 2023

IPO: a tool for automated optimization of XCMS parameters

artículo científico publicado en 2015

ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level

artículo científico publicado en 2010

Impact of in vitro phytohormone treatments on the metabolome of the leafy liverwort Radula complanata (L.) Dumort

artículo científico publicado en 2023

Improving MetFrag with statistical learning of fragment annotations

scientific article published on 05 July 2019

In silico fragmentation for computer assisted identification of metabolite mass spectra

artículo científico publicado en 2010

Interim Report NFDI4Chem 2023

artículo científico publicado en 2024

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

Interoperable and scalable data analysis with microservices: Applications in Metabolomics

scientific article published in 2019

Joint Analysis of Dependent Features within Compound Spectra Can Improve Detection of Differential Features.

artículo científico publicado en 2015

LC-MS/MS data analysis with xcms

Leaf metabolic traits reveal hidden dimensions of plant form and function

artículo científico publicado en 2023

LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome

artículo científico publicado en 2017

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

artículo científico publicado en 2012

Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects

artículo científico publicado en 2016

Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices

artículo científico publicado en 2021

MassBank: a public repository for sharing mass spectral data for life sciences

artículo científico publicado en 2010

Meeting Report from the Second "Minimum Information for Biological and Biomedical Investigations" (MIBBI) workshop

artículo científico publicado en 2010

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

artículo científico publicado en 2016

MetFusion: integration of compound identification strategies

artículo científico publicado en 2013

MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data

artículo científico publicado en 2012

Metabolic drift in the aging nervous system is reflected in human cerebrospinal fluid

artículo científico publicado en 2021

Metabolite identification: are you sure? And how do your peers gauge your confidence?

article

Metabolite profiling and beyond: approaches for the rapid processing and annotation of human blood serum mass spectrometry data

artículo científico publicado en 2013

Metabolome analysis of biosynthetic mutants reveals a diversity of metabolic changes and allows identification of a large number of new compounds in Arabidopsis ⬇️

artículo científico publicado en 2008

Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas

scholarly article by Clément Frainay published in September 2018

Minimum Information Standards in Chemistry: A Call for Better Research Data Management Practices

artículo científico publicado en 2022

NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany

artículo científico publicado en 2020

Natural variation of root exudates in Arabidopsis thaliana-linking metabolomic and genomic data

artículo científico publicado en 2016

Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data

Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation

artículo científico

Ontologies4Chem: the landscape of ontologies in chemistry

artículo científico publicado en 2022

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

PhenoMeNal: Processing and analysis of Metabolomics data in the Cloud

scholarly article by Kristian Peters et al published 7 December 2018 in GigaScience

Plant-to-Plant Variability in Root Metabolite Profiles of 19 Arabidopsis thaliana Accessions Is Substance-Class-Dependent ⬇️

artículo científico publicado en 2016

PredRet: prediction of retention time by direct mapping between multiple chromatographic systems

artículo científico publicado en 2015

Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data

artículo científico publicado en 2016

Primary prophylaxis of bacterial infections and Pneumocystis jirovecii pneumonia in patients with hematological malignancies and solid tumors : guidelines of the Infectious Diseases Working Party (AGIHO) of the German Society of Hematology and Oncol

artículo científico publicado en 2013

Reshaping of the Arabidopsis thaliana proteome landscape and co-regulation of proteins in development and immunity

scientific article published on 29 September 2020

SPLASH, a hashed identifier for mass spectra ⬇️

artículo científico publicado en 2016

Seasonal variation of secondary metabolites in nine different bryophytes

artículo científico publicado en 2018

Solving CASMI 2013 with MetFrag, MetFusion and MOLGEN-MS/MS.

artículo científico publicado en 2014

Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag

artículo científico publicado en 2019

Tackling CASMI 2012: Solutions from MetFrag and MetFusion

artículo científico publicado en 2013

The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions

artículo científico publicado en 2013

The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again

artículo científico publicado en 2014

The SOLUTIONS project: challenges and responses for present and future emerging pollutants in land and water resources management

artículo científico publicado en 2014

The current landscape of author guidelines in chemistry through the lens of research data sharing

artículo científico publicado en 2023

The future of metabolomics in ELIXIR

artículo científico publicado en 2017

The future of metabolomics in ELIXIR.

artículo científico publicado en 2017

The metaRbolomics Toolbox in Bioconductor and beyond

scientific article published on 23 September 2019

The mzTab data exchange format: communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience

artículo científico publicado en 2014

The significance of tree-tree interactions for forest ecosystem functioning

artículo científico publicado en 2021

Toward interoperable bioscience data

artículo científico publicado en 2012

TraML--a standard format for exchange of selected reaction monitoring transition lists

artículo científico

Tree species richness differentially affects the chemical composition of leaves, roots and root exudates in four subtropical tree species

artículo científico publicado en 2021

Untargeted In Silico Compound Classification—A Novel Metabolomics Method to Assess the Chemodiversity in Bryophytes

artículo científico publicado en 2021

Untargeted Metabolomics for Integrative Taxonomy: Metabolomics, DNA Marker-Based Sequencing, and Phenotype Bioimaging

artículo científico publicado en 2023

mzML--a community standard for mass spectrometry data

artículo científico publicado en 2011

mzTab-M: A Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics

artículo científico publicado en 2019

nmrML: a community supported open data standard for the description, storage, and exchange of NMR data

artículo científico publicado en 2017

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