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Thomas O. Metz
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- affiliation: Pacific Northwest National Laboratory, Biological Sciences Division, Richland, WA, USA
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2020 – today
- 2024
- [j18]Marjolein T. Oostrom
, Sean M. Colby
DEIMoS GUI: An Open-Source User Interface for a High-Dimensional Mass Spectrometry Data Processing Tool. J. Chem. Inf. Model. 64(5): 1419-1424 (2024) - 2022
- [j17]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): 64 (2022) - [j16]David S. Wishart
BioTransformer 3.0 - a web server for accurately predicting metabolic transformation products. Nucleic Acids Res. 50(W1): 115-123 (2022) - [j15]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): 165-174 (2022) - 2021
- [j14]Joon-Yong Lee
AutoCCS: automated collision cross-section calculation software for ion mobility spectrometry-mass spectrometry. Bioinform. 37(22): 4193-4201 (2021) - [j13]Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow
Correction to "Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets". J. Chem. Inf. Model. 61(5): 2509-2510 (2021) - [j12]Madison R. Blumer
Mass Spectrometry Adduct Calculator. J. Chem. Inf. Model. 61(12): 5721-5725 (2021) - [i2]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 abs/2105.02991 (2021) - [i1]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 abs/2111.03227 (2021) - 2020
- [j11]Jamie R. Nuñez, Monee Y. McGrady, Yasemin Yesiltepe, Ryan S. Renslow
Chespa: Streamlining Expansive Chemical Space Evaluation of Molecular Sets. J. Chem. Inf. Model. 60(12): 6251-6257 (2020)
2010 – 2019
- 2019
- [j10]Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas
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): 4052-4060 (2019) - 2018
- [j9]Yasemin Yesiltepe, Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Mark I. Borkum, Patrick Reardon
An automated framework for NMR chemical shift calculations of small organic molecules. J. Cheminformatics 10(1): 52:1-52:16 (2018) - 2017
- [j8]Jennifer E. Kyle, Kevin L. Crowell, Cameron P. Casey
LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data. Bioinform. 33(11): 1744-1746 (2017) - [j7]Jian Ma, Cameron P. Casey
PIXiE: an algorithm for automated ion mobility arrival time extraction and collision cross section calculation using global data association. Bioinform. 33(17): 2715-2722 (2017) - 2016
- [c2]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 - 2013
- [j6]Brian J. Schmidt
GIM3E: condition-specific models of cellular metabolism developed from metabolomics and expression data. Bioinform. 29(22): 2900-2908 (2013) - [j5]Brian L. LaMarche, Kevin L. Crowell, Navdeep Jaitly, Vladislav A. Petyuk
MultiAlign: a multiple LC-MS analysis tool for targeted omics analysis. BMC Bioinform. 14: 49 (2013) - [j4]Nicolas Tchitchek, Amie J. Eisfeld
Specific mutations in H5N1 mainly impact the magnitude and velocity of the host response in mice. BMC Syst. Biol. 7: 69 (2013) - 2012
- [j3]Lars J. Kangas, Thomas O. Metz
In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids. Bioinform. 28(13): 1705-1713 (2012) - 2011
- [j2]Melissa M. Matzke, Katrina M. Waters
Improved quality control processing of peptide-centric LC-MS proteomics data. Bioinform. 27(20): 2866-2872 (2011) - [c1]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: 186-188
2000 – 2009
- 2009
- [j1]Yuliya V. Karpievitch, Jeff Stanley, Thomas Taverner, Jianhua Huang, Joshua N. Adkins, Charles Ansong, Fred Heffron, Thomas O. Metz
A statistical framework for protein quantitation in bottom-up MS-based proteomics. Bioinform. 25(16): 2028-2034 (2009)
Coauthor Index
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