Thomas O. Metz

Publication Activity (10 Years)

Years Active: 2009-2024
Publications (10 Years): 15

Top Topics

Data Association

Mass Spectrometry

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Marjolein T. Oostrom, Sean M. Colby, Thomas O. Metz
DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool. J. Chem. Inf. Model. 64 (5) (2024)
David S. Wishart, Siyang Tian, Dana Allen, Eponine Oler, Harrison Peters, Vicki W. Lui, Vasuk Gautam, Yannick Djoumbou Feunang, Russell Greiner, Thomas O. Metz
BioTransformer 3.0 - a web server for accurately predicting metabolic transformation products. Nucleic Acids Res. 50 (W1) (2022)
Fei Wang, Dana Allen, Siyang Tian, Eponine Oler, Vasuk Gautam, Russell Greiner, Thomas O. Metz, David S. Wishart
CFM-ID 4.0 - a web server for accurate MS-based metabolite identification. Nucleic Acids Res. 50 (W1) (2022)
Yasemin Yesiltepe, Niranjan Govind, Thomas O. Metz, Ryan S. Renslow
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts. J. Cheminformatics 14 (1) (2022)
Madison R. Blumer, Christine H. Chang, Evangelina Brayfindley, Jamie R. Nuñez, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz
Mass Spectrometry Adduct Calculator. J. Chem. Inf. Model. 61 (12) (2021)
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets". J. Chem. Inf. Model. 61 (5) (2021)
Felicity F. Nielson, Sean M. Colby, Ryan S. Renslow, Thomas O. Metz
Similarity Downselection: A Python implementation of a heuristic search algorithm for finding the set of the n most dissimilar items with an application in conformer sampling. CoRR (2021)
Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES. CoRR (2021)
Joon-Yong Lee, Aivett Bilbao, Christopher R. Conant, Kent J. Bloodsworth, Daniel J. Orton, Mowei Zhou, Jesse W. Wilson, Xueyun Zheng, Ian K. Webb, Ailin Li, Kim K. Hixson, John C. Fjeldsted, Yehia M. Ibrahim, Samuel H. Payne, Christer Jansson, Richard D. Smith, Thomas O. Metz
AutoCCS: automated collision cross-section calculation software for ion mobility spectrometry-mass spectrometry. Bioinform. 37 (22) (2021)
Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow, Thomas O. Metz
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets. J. Chem. Inf. Model. 60 (12) (2020)
Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Malak M. Tfaily, Nikola Tolic, Elin M. Ulrich, Jon R. Sobus, Thomas O. Metz, Justin G. Teeguarden, Ryan S. Renslow
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples. J. Chem. Inf. Model. 59 (9) (2019)
Yasemin Yesiltepe, Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Mark I. Borkum, Patrick Reardon, Nancy M. Washton, Thomas O. Metz, Justin G. Teeguarden, Niranjan Govind, Ryan S. Renslow
An automated framework for NMR chemical shift calculations of small organic molecules. J. Cheminformatics 10 (1) (2018)
Jian Ma, Cameron P. Casey, Xueyun Zheng, Yehia M. Ibrahim, Christopher S. Wilkins, Ryan S. Renslow, Dennis G. Thomas, Samuel H. Payne, Matthew E. Monroe, Richard D. Smith, Justin G. Teeguarden, Erin S. Baker, Thomas O. Metz
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. Bioinform. 33 (17) (2017)
Jennifer E. Kyle, Kevin L. Crowell, Cameron P. Casey, Grant M. Fujimoto, Sangtae Kim, Sydney E. Dautel, Richard D. Smith, Samuel H. Payne, Thomas O. Metz
LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data. Bioinform. 33 (11) (2017)
Jean-Philippe F. Gourdine, Thomas O. Metz, David Koeller, Matthew H. Brush, Melissa A. Haendel
Building a Molecular Glyco-phenotype Ontology to Decipher Undiagnosed Diseases. ICBO/BioCreative (2016)
Brian J. Schmidt, Ali Ebrahim, Thomas O. Metz, Joshua N. Adkins, Bernhard Ø. Palsson, Daniel R. Hyduke
E: condition-specific models of cellular metabolism developed from metabolomics and expression data. Bioinform. 29 (22) (2013)
Nicolas Tchitchek, Amie J. Eisfeld, Jennifer Tisoncik-Go, Laurence Josset, Lisa E. Gralinski, Christophe Bécavin, Susan C. Tilton, Bobbie-Jo M. Webb-Robertson, Martin T. Ferris, Allison L. Totura, Chengjun Li, Gabriele Neumann, Thomas O. Metz, Richard D. Smith, Katrina M. Waters, Ralph S. Baric, Yoshihiro Kawaoka, Michael G. Katze
Specific mutations in H5N1 mainly impact the magnitude and velocity of the host response in mice. BMC Syst. Biol. 7 (2013)
Brian L. LaMarche, Kevin L. Crowell, Navdeep Jaitly, Vladislav A. Petyuk, Anuj R. Shah, Ashoka D. Polpitiya, John D. Sandoval, Gary R. Kiebel, Matthew E. Monroe, Stephen J. Callister, Thomas O. Metz, Gordon A. Anderson, Richard D. Smith
MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis. BMC Bioinform. 14 (2013)
Lars J. Kangas, Thomas O. Metz, Giorgis Isaac, Brian T. Schrom, Bojana Ginovska-Pangovska, Luning Wang, Li Tan, Robert R. Lewis, John H. Miller
identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids. Bioinform. 28 (13) (2012)
Brian T. Schrom, Lars J. Kangas, Bojana Ginovska-Pangovska, Thomas O. Metz, John H. Miller
Charge Prediction of Lipid Fragments in Mass Spectrometry. ICMLA (2) (2011)
Melissa M. Matzke, Katrina M. Waters, Thomas O. Metz, Jon M. Jacobs, Amy C. Sims, Ralph S. Baric, Joel G. Pounds, Bobbie-Jo M. Webb-Robertson
Improved quality control processing of peptide-centric LC-MS proteomics data. Bioinform. 27 (20) (2011)
Yuliya V. Karpievitch, Jeff Stanley, Thomas Taverner, Jianhua Huang, Joshua N. Adkins, Charles Ansong, Fred Heffron, Thomas O. Metz, Wei-Jun Qian, Hyunjin Yoon, Richard D. Smith, Alan R. Dabney
A statistical framework for protein quantitation in bottom-up MS-based proteomics. Bioinform. 25 (16) (2009)