Thomas O. Metz
Orcid: 0000-0001-6049-3968Affiliations:
- 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.
Collaborative distances:
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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
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
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
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
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
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
Bioinform., 2011
Proceedings of the 10th International Conference on Machine Learning and Applications and Workshops, 2011
2009
Bioinform., 2009