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List of works by Christoph Ruttkies

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

scientific article

Bioinformatics can boost metabolomics research

scientific article

Critical Assessment of Small Molecule Identification 2016: automated methods

scientific article

Current Challenges in Plant Eco-Metabolomics.

scientific article published on 6 May 2018

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

scientific article

Exploring open cheminformatics approaches for categorizing per- and polyfluoroalkyl substances (PFASs)

scientific article published on 02 October 2019

Extraction of chemical structures from literature and patent documents using open access chemistry toolkits: a case study with PFAS

Galaxy-Kubernetes integration: scaling bioinformatics workflows in the cloud

Improving MetFrag with statistical learning of fragment annotations

scientific article published on 05 July 2019

In vitro cross-linking of elastin peptides and molecular characterization of the resultant biomaterials.

scientific article

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

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

scientific article

Meeting Report: Plant Science Student Conference (PSSC) 2015--Young researchers in green biotechnology

scientific article

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

scientific article (publication date: 29 January 2016)

Performance of combined fragmentation and retention prediction for the identification of organic micropollutants by LC-HRMS.

scientific article published on 30 January 2018

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

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

scientific article published on 16 August 2014

Tackling CASMI 2012: Solutions from MetFrag and MetFusion

scientific article

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

article published in 2018

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