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A guide to reverse metabolomics – a framework for big data discovery strategy.

Vincent Charron-Lamoureux, Helena Mannochio-Russo, Santosh Lamichhane, Shipei Xing, Abubaker Patan, Paulo Wender Portal Gomes, Prajit Rajkumar, Victoria Deleray, Andrés Mauricio Caraballo-Rodriguez, Kee Voon Chua, Lye Siang Lee, Zhao Liu, Jianhong Ching, Mingxun Wang, Pieter C. Dorrestein

Version 2 posted 20 December 2024

156

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Analytical Chemistry

Working Paper

Consolidating LC×LC-HRMS/MS Technique for the Non-targeted Analysis of Poly- And Perfluorinated Substances: a Trial on Aqueous-Film Forming Foams.

Lapo Renai, Massimo Del Bubba, Andrea F. G. Gargano, Saer Samanipour

Version 1 posted 09 July 2024

109

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Catalysis

Working Paper

General Data Management Workflow to Process Tabular Data in Automated and High throughput Heterogeneous Catalysis Research

Erwin Lam, Tanguy Maury, Sebastian Preiss, Yuhui Hou, Hannes Frey, Caterina Barillari, Paco Laveille

Version 1 posted 01 November 2024

147

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Analytical Chemistry

Working Paper

iMSminer: A Data Processing and Machine Learning Package for Imaging Mass Spectrometry

Yu Tin Lin, Haohui Bao, Troy Scoggins, Boone Prentice

Version 1 posted 25 June 2024

267

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Analytical Chemistry

Working Paper

Modular Open-access and Open-source julia language Toolbox for Processing of HRMS Data: jHRMSToolBox

Denice van Herwerden, Etienne Kant, Miranda Jackson, Chloe Fender, Manuel Garcia-Jaramillo, Jake O'Brien, Kevin Thomas, Saer Samanipour

Version 2 posted 17 June 2024

476

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Analytical Chemistry

Working Paper

Machine Learning-Based Multidomain Processing for Texture-Based Image Segmentation and Analysis

Nikolay Borodinov, Wan-Yu Tsai, Vladimir V. Korolkov, Nina Balke, Sergei Kalinin, Olga S. Ovchinnikova

Version 1 posted 09 January 2020

729

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Analytical Chemistry

Working Paper

A Dual UHPLC-HRMS-Based Fecal Metabolomics and Lipidomics Analysis and Automated Data Processing Pipeline for Comprehensive Gut Phenotyping

Pablo Vangeenderhuysen, Jasmien Van Arnhem, Beata Pomian, Marilyn De Graeve, Lindsey De Commer, Gwen Falony, Jeroen Raes, Alexandra Zhernakova, Jingyuan Fu, Lieselot Y. Hemeryck, Lynn Vanhaecke

Version 2 posted 18 January 2023

1,240

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Analytical Chemistry

Working Paper

DeltaPCA: A Statistically Robust Method for Detecting Protein Analyte Binding to Aptamer-Functionalised Nanoparticles using Surface-Enhanced Raman Spectroscopy

Fiona Given, Tamsyn Stanborough, Mark Waterland, Deborah Crittenden

Version 1 posted 13 September 2021

213

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Analytical Chemistry

Working Paper

High entropy alloys: assessing atomic-scale mixing and surface passivation with time-of-flight secondary ion mass spectrometry

Oscar F. Laurent, Maria Letizia De Marco, Marco Faustini, Cédric Boissière, Claude Poleunis, Arnaud Delcorte, Damien P. Debecker

Version 1 posted 25 September 2024

110

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9 results in Data Processing in Keywords: Data Processing

A guide to reverse metabolomics – a framework for big data discovery strategy.

Consolidating LC×LC-HRMS/MS Technique for the Non-targeted Analysis of Poly- And Perfluorinated Substances: a Trial on Aqueous-Film Forming Foams.

General Data Management Workflow to Process Tabular Data in Automated and High throughput Heterogeneous Catalysis Research

iMSminer: A Data Processing and Machine Learning Package for Imaging Mass Spectrometry

Modular Open-access and Open-source julia language Toolbox for Processing of HRMS Data: jHRMSToolBox

Machine Learning-Based Multidomain Processing for Texture-Based Image Segmentation and Analysis

A Dual UHPLC-HRMS-Based Fecal Metabolomics and Lipidomics Analysis and Automated Data Processing Pipeline for Comprehensive Gut Phenotyping

DeltaPCA: A Statistically Robust Method for Detecting Protein Analyte Binding to Aptamer-Functionalised Nanoparticles using Surface-Enhanced Raman Spectroscopy

High entropy alloys: assessing atomic-scale mixing and surface passivation with time-of-flight secondary ion mass spectrometry

9 results in Keywords: Data Processing