Oliver Fiehn

27 papers C 1Misc 1Journal 23Unranked 2
YearRankTypeTitle / Venue / Authors
2024 J jnl
Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling.
J. Chem. Inf. Model.
Jesi Lee, Dean J. Tantillo, Lee-Ping Wang, Oliver Fiehn
2024 J jnl
Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular Dynamics.
J. Chem. Inf. Model.
Jesi Lee, Dean J. Tantillo, Lee-Ping Wang, Oliver Fiehn
2023 J jnl
The BinDiscover database: a biology-focused meta-analysis tool for 156,000 GC-TOF MS metabolome samples.
J. Cheminformatics
Parker Ladd Bremer, Gert Wohlgemuth, Oliver Fiehn
2022 J jnl
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics.
J. Chem. Inf. Model.
Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn
2022 J jnl
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra.
J. Chem. Inf. Model.
Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, Shunyang Wang, Oliver Fiehn
2020 J jnl
Predicting in silico electron ionization mass spectra using quantum chemistry.
J. Cheminformatics
Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn
2017 J jnl
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy.
J. Cheminformatics
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
2017 J jnl
Critical Assessment of Small Molecule Identification 2016: automated methods.
J. Cheminformatics
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
2016 J jnl
Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools.
Nucleic Acids Res.
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
2015 J jnl
An in silico MS/MS library for automatic annotation of novel FAHFA lipids.
J. Cheminformatics
Yan Ma, Tobias Kind, Arpana Vaniya, Ingrid Gennity, Johannes F. Fahrmann, Oliver Fiehn
2015 J jnl
MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics.
J. Cheminformatics
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
2015 J jnl
MetaMapR: pathway independent metabolomic network analysis incorporating unknowns.
Bioinform.
Dmitry Grapov, Kwanjeera Wanichthanarak, Oliver Fiehn
2012 J jnl
MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity.
BMC Bioinform.
Dinesh Kumar Barupal, Pradeep Kumar Haldiya, Gert Wohlgemuth, Tobias Kind, Shanker L. Kothari, Kent E. Pinkerton, Oliver Fiehn
2011 J jnl
The volatile compound BinBase mass spectral database.
BMC Bioinform.
Kirsten Skogerson, Gert Wohlgemuth, Dinesh Kumar Barupal, Oliver Fiehn
2010 — conf
METAtarget - Extracting Key Enzymes of Metabolic Regulation from Highthroughput Metabolomics Data using KEGG REACTION Information.
GCB
Jan Budczies, Carsten Denkert, Berit M. Müller, Scarlet F. Brockmöller, Manfred Dietel, Jules L. Griffin, Matej Oresic, Oliver Fiehn
2010 J jnl
The Chemical Translation Service - a web-based tool to improve standardization of metabolomic reports.
Bioinform.
Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon L. Willighagen, Tobias Kind, Oliver Fiehn
2009 J jnl
Software platform virtualization in chemistry research and university teaching.
J. Cheminformatics
Tobias Kind, Tim Leamy, Julie A. Leary, Oliver Fiehn
2007 J jnl
Robust detection and verification of linear relationships to generate metabolic networks using estimates of technical errors.
BMC Bioinform.
Frank Kose, Jan Budczies, Matthias Holschneider, Oliver Fiehn
2007 Misc conf
Setup X - A Public Study Design Database for Metabolomic Projects.
Pacific Symposium on Biocomputing
Martin Scholz, Oliver Fiehn
2007 J jnl
Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry.
BMC Bioinform.
Tobias Kind, Oliver Fiehn
2006 J jnl
Metabolomic database annotations viaquery of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm.
BMC Bioinform.
Tobias Kind, Oliver Fiehn
2006 J jnl
Metabolomics Standards Workshop and the development of international standards for reporting metabolomics experimental results.
Briefings Bioinform.
Arthur L. Castle, Oliver Fiehn, Rima Kaddurah-Daouk, John C. Lindon
2005 — conf
Setup and Annotation of Metabolomic Experiments by Integrating Biological and Mass Spectrometric Metadata.
DILS
Oliver Fiehn, Gert Wohlgemuth, Martin Scholz
2004 J jnl
Metabolite fingerprinting: detecting biological features by independent component analysis.
Bioinform.
Matthias Scholz, S. Gatzek, Alisdair R. Sterling, Oliver Fiehn, Joachim Selbig
2003 J jnl
Observing and Interpreting Correlations in Metabolic Networks.
Bioinform.
Ralph E. Steuer, Jürgen Kurths, Oliver Fiehn, Wolfram Weckwerth
2002 C conf
Application of metabolomics to plant genotype discrimination using statistics and machine learning.
ECCB
Janet Taylor, Ross D. King, Thomas Altmann, Oliver Fiehn
2001 J jnl
Visualizing plant metabolomic correlation networks using clique-metabolite matrices.
Bioinform.
Frank Kose, Wolfram Weckwerth, Thomas Linke, Oliver Fiehn