Visualizing plant metabolomic correlation networks using clique-metabolite matrices. - Frank Kose; Wolfram Weckwerth; Thomas Linke; Oliver Fiehn (Bioinform., 2001)

Application of metabolomics to plant genotype discrimination using statistics and machine learning. - Janet Taylor; Ross D. King; Thomas Altmann; Oliver Fiehn (ECCB, 2002)

Observing and Interpreting Correlations in Metabolic Networks. - Ralph E. Steuer; Jürgen Kurths; Oliver Fiehn; Wolfram Weckwerth (Bioinform., 2003)

Metabolite fingerprinting: detecting biological features by independent component analysis. - Matthias Scholz; S. Gatzek; Alisdair R. Sterling; Oliver Fiehn; Joachim Selbig (Bioinform., 2004)

Setup and Annotation of Metabolomic Experiments by Integrating Biological and Mass Spectrometric Metadata. - Oliver Fiehn; Gert Wohlgemuth; Martin Scholz (DILS, 2005)

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)

Metabolomic database annotations viaquery of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm. - Tobias Kind; Oliver Fiehn (BMC Bioinform., 2006)

Setup X - A Public Study Design Database for Metabolomic Projects. - Martin Scholz; Oliver Fiehn (Pacific Symposium on Biocomputing, 2007)

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. - Tobias Kind; Oliver Fiehn (BMC Bioinform., 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)

Software platform virtualization in chemistry research and university teaching. - Tobias Kind; Tim Leamy; Julie A. Leary; Oliver Fiehn (J. Cheminformatics, 2009)

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 (GCB, 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)

The volatile compound BinBase mass spectral database. - Kirsten Skogerson; Gert Wohlgemuth; Dinesh Kumar Barupal; Oliver Fiehn (BMC Bioinform., 2011)

MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity. - Dinesh Kumar Barupal; Pradeep Kumar Haldiya; Gert Wohlgemuth; Tobias Kind; Shanker L. Kothari; Kent E. Pinkerton; Oliver Fiehn (BMC Bioinform., 2012)

MetaMapR: pathway independent metabolomic network analysis incorporating unknowns. - Dmitry Grapov; Kwanjeera Wanichthanarak; Oliver Fiehn (Bioinform., 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)

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)

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)

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)

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; et al. (J. Cheminformatics, 2017)

Predicting in silico electron ionization mass spectra using quantum chemistry. - Shunyang Wang; Tobias Kind; Dean J. Tantillo; Oliver Fiehn (J. Cheminformatics, 2020)

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)

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)

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, 2023)

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)

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)