Thomas O. Metz

Orcid: 0000-0001-6049-3968

Affiliations:
  • Pacific Northwest National Laboratory, Biological Sciences Division, Richland, WA, USA


According to our database1, Thomas O. Metz authored at least 22 papers between 2009 and 2024.

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Bibliography

2024
DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool.
J. Chem. Inf. Model., March, 2024

2022
BioTransformer 3.0 - a web server for accurately predicting metabolic transformation products.
Nucleic Acids Res., 2022

CFM-ID 4.0 - a web server for accurate MS-based metabolite identification.
Nucleic Acids Res., 2022

An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts.
J. Cheminformatics, 2022

2021
AutoCCS: automated collision cross-section calculation software for ion mobility spectrometry-mass spectrometry.
Bioinform., November, 2021

Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets".
J. Chem. Inf. Model., 2021

Mass Spectrometry Adduct Calculator.
J. Chem. Inf. Model., 2021

SPECTRe: Substructure Processing, Enumeration, and Comparison Tool Resource: An efficient tool to encode all substructures of molecules represented in SMILES.
CoRR, 2021

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

2020
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets.
J. Chem. Inf. Model., 2020

2019
Evaluation of In Silico Multifeature Libraries for Providing Evidence for the Presence of Small Molecules in Synthetic Blinded Samples.
J. Chem. Inf. Model., 2019

2018
An automated framework for NMR chemical shift calculations of small organic molecules.
J. Cheminformatics, 2018

2017
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association.
Bioinform., 2017

LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data.
Bioinform., 2017

2016
Building a Molecular Glyco-phenotype Ontology to Decipher Undiagnosed Diseases.
Proceedings of the Joint International Conference on Biological Ontology and BioCreative, 2016

2013
Specific mutations in H5N1 mainly impact the magnitude and velocity of the host response in mice.
BMC Syst. Biol., 2013

MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis.
BMC Bioinform., 2013

GIM<sup>3</sup>E: condition-specific models of cellular metabolism developed from metabolomics and expression data.
Bioinform., 2013

2012
<i>In silico</i> identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids.
Bioinform., 2012

2011
Improved quality control processing of peptide-centric LC-MS proteomics data.
Bioinform., 2011

Charge Prediction of Lipid Fragments in Mass Spectrometry.
Proceedings of the 10th International Conference on Machine Learning and Applications and Workshops, 2011

2009
A statistical framework for protein quantitation in bottom-up MS-based proteomics.
Bioinform., 2009


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