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List of works by Kai Dührkop

Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.

scientific article published in July 2018

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

scientific article published on 16 November 2020

Chemically-informed Analyses of Metabolomics Mass Spectrometry Data with Qemistree

scientific article published on 5 May 2020

Computational methods for small molecule identification

scientific article published in 2019

Critical Assessment of Small Molecule Identification 2016: automated methods

scientific article

Current Challenges in Plant Eco-Metabolomics.

scientific article published on 6 May 2018

Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

scientific article published in 2020

De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4

scientific article published on 01 January 2020

Deep kernel learning improves molecular fingerprint prediction from tandem mass spectra

scientific article published in 2022

Fast alignment of fragmentation trees

scientific article published on June 2012

Fast metabolite identification with Input Output Kernel Regression

scientific article published on June 2016

Faster Mass Decomposition

scientific article published in 2013

Feature-based molecular networking in the GNPS analysis environment

scientific article published on 24 August 2020

Fragmentation Trees Reloaded

scientific article published in 2015

Fragmentation trees reloaded

scientific article (publication date: 2016)

High-confidence structural annotation of metabolites absent from spectral libraries

scientific article published on 14 October 2021

Integrative analysis of multimodal mass spectrometry data in MZmine 3

Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

scientific article

MSNovelist: de novo structure generation from mass spectra

scientific article published in 2022

Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter

scientific article published in 2022

Metabolite identification through multiple kernel learning on fragmentation trees

scientific article published on June 2014

Molecular Formula Identification Using Isotope Pattern Analysis and Calculation of Fragmentation Trees

scientific article published on 18 July 2014

Molecular Formula Identification with SIRIUS.

scientific article

Multi-omics profiling of Earth’s biomes reveals patterns of diversity and co-occurrence in microbial and metabolite composition across environments

scientific article published on 6 June 2021

Publisher Correction: Database-independent molecular formula annotation using Gibbs sampling through ZODIAC

correction of a scholarly article

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

scientific article published on 18 March 2019

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

scientific article published on 21 September 2015

Significance estimation for large scale metabolomics annotations by spectral matching

scientific article published on 14 November 2017

Speedy Colorful Subtrees

scientific article published in 2015

Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale

scientific article published on 13 November 2020

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

scientific article published on 23 November 2020

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