Oliver Fiehn

According to our database, Oliver Fiehn authored at least 27 papers between 2001 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of three.

2024

Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular Dynamics.

Jesi Lee, Dean J. Tantillo, Lee-Ping Wang, Oliver Fiehn

J. Chem. Inf. Model., 2024

Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling.

Jesi Lee, Dean J. Tantillo, Lee-Ping Wang, Oliver Fiehn

J. Chem. Inf. Model., 2024

2023

The BinDiscover database: a biology-focused meta-analysis tool for 156,000 GC-TOF MS metabolome samples.

Parker Ladd Bremer, Gert Wohlgemuth, Oliver Fiehn

J. Cheminformatics, December, 2023

2022

Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics.

Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn

J. Chem. Inf. Model., 2022

How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra.

Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, Shunyang Wang, Oliver Fiehn

J. Chem. Inf. Model., 2022

2020

Predicting in silico electron ionization mass spectra using quantum chemistry.

Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn

J. Cheminformatics, 2020

2017

Critical Assessment of Small Molecule Identification 2016: automated methods.

Emma Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann

J. Cheminformatics, 2017

Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.

Ivana Blazenovic, Tobias Kind, Hrvoje Torbasinovic, Slobodan Obrenovic, Sajjan S. Mehta, Hiroshi Tsugawa, Tobias Wermuth, Nicolas Schauer, Martina Jahn, Rebekka Biedendieck, Dieter Jahn, Oliver Fiehn

J. Cheminformatics, 2017

2016

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools.

Manish Sud, Eoin Fahy, Dawn Cotter, Kenan Azam, Ilango Vadivelu, Charles F. Burant, Arthur Edison, Oliver Fiehn, Richard M. Higashi, K. Sreekumaran Nair, Susan Sumner, Shankar Subramaniam

Nucleic Acids Res., 2016

2015

An in silico MS/MS library for automatic annotation of novel FAHFA lipids.

Yan Ma, Tobias Kind, Arpana Vaniya, Ingrid Gennity, Johannes F. Fahrmann, Oliver Fiehn

J. Cheminformatics, 2015

MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics.

James G. Jeffryes, Ricardo L. Colastani, Mona Elbadawi-Sidhu, Tobias Kind, Thomas D. Niehaus, Linda J. Broadbelt, Andrew D. Hanson, Oliver Fiehn, Keith E. J. Tyo, Christopher S. Henry

J. Cheminformatics, 2015

MetaMapR: pathway independent metabolomic network analysis incorporating unknowns.

Dmitry Grapov, Kwanjeera Wanichthanarak, Oliver Fiehn

Bioinform., 2015

2012

MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity.

Dinesh K. Barupal, Pradeep Kumar Haldiya, Gert Wohlgemuth, Tobias Kind, Shanker L. Kothari, Kent E. Pinkerton, Oliver Fiehn

BMC Bioinform., 2012

2011

The volatile compound BinBase mass spectral database.

Kirsten Skogerson, Gert Wohlgemuth, Dinesh K. Barupal, Oliver Fiehn

BMC Bioinform., 2011

2010

The Chemical Translation Service - a web-based tool to improve standardization of metabolomic reports.

Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon L. Willighagen, Tobias Kind, Oliver Fiehn

Bioinform., 2010

METAtarget - Extracting Key Enzymes of Metabolic Regulation from Highthroughput Metabolomics Data using KEGG REACTION Information.

Jan Budczies, Carsten Denkert, Berit M. Müller, Scarlet F. Brockmöller, Manfred Dietel, Jules L. Griffin, Matej Oresic, Oliver Fiehn

Proceedings of the German Conference on Bioinformatics 2010, 2010

2009

Software platform virtualization in chemistry research and university teaching.

Tobias Kind, Tim Leamy, Julie A. Leary, Oliver Fiehn

J. Cheminformatics, 2009

2007

Robust detection and verification of linear relationships to generate metabolic networks using estimates of technical errors.

Frank Kose, Jan Budczies, Matthias Holschneider, Oliver Fiehn

BMC Bioinform., 2007

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry.

Tobias Kind, Oliver Fiehn

BMC Bioinform., 2007

Setup X - A Public Study Design Database for Metabolomic Projects.

Martin Scholz, Oliver Fiehn

Proceedings of the Biocomputing 2007, 2007

2006

Metabolomic database annotations viaquery of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm.

Tobias Kind, Oliver Fiehn

BMC Bioinform., 2006

Metabolomics Standards Workshop and the development of international standards for reporting metabolomics experimental results.

Arthur L. Castle, Oliver Fiehn, Rima Kaddurah-Daouk, John C. Lindon

Briefings Bioinform., 2006

2005

Setup and Annotation of Metabolomic Experiments by Integrating Biological and Mass Spectrometric Metadata.

Oliver Fiehn, Gert Wohlgemuth, Martin Scholz

Proceedings of the Data Integration in the Life Sciences, Second InternationalWorkshop, 2005

2004

Metabolite fingerprinting: detecting biological features by independent component analysis.

Matthias Scholz, S. Gatzek, Alisdair R. Sterling, Oliver Fiehn, Joachim Selbig

Bioinform., 2004

2003

Observing and Interpreting Correlations in Metabolic Networks.

Ralph E. Steuer, Jürgen Kurths, Oliver Fiehn, Wolfram Weckwerth

Bioinform., 2003

2002

Application of metabolomics to plant genotype discrimination using statistics and machine learning.

Janet Taylor, Ross D. King, Thomas Altmann, Oliver Fiehn

Proceedings of the European Conference on Computational Biology (ECCB 2002), 2002

2001

Visualizing plant metabolomic correlation networks using clique-metabolite matrices.

Frank Kose, Wolfram Weckwerth, Thomas Linke, Oliver Fiehn

Bioinform., 2001