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7 results in Authors: Denice van Herwerden

Analytical Chemistry

Working Paper

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data

Jim Boelrijk, Denice van Herwerden, Saer Samanipour, Bernd Ensing, Patrick Forré

Version 2 posted 19 September 2022

444

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Analytical Chemistry

Working Paper

Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data

Denice van Herwerden, Jake O'Brien, Sascha Lege, Bob Pirok, Kevin Thomas, Saer Samanipour

Version 1 posted 01 March 2023

138

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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

261

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Analytical Chemistry

Working Paper

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography

Tijmen Bos, Jim Boelrijk, Stef Molenaar, Brian van 't Veer, Leon Niezen, Denice van Herwerden, Saer Samanipour, Dwight Stoll, Patrick Forré, Bernd Ensing, Govert Somsen, Bob Pirok

Version 1 posted 21 July 2022

336

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Analytical Chemistry

Working Paper

Naive Bayes classification model for isotopologue detection in LC-HRMS data

Denice van Herwerden, Jake O'Brien, Phil Choi, Kevin Thomas, Peter Schoenmakers, Saer Samanipour

Version 1 posted 03 November 2021

248

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Analytical Chemistry

Review

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

Saer Samanipour, Leon Barron, Denice van Herwerden, Antonia Praetorius, Kevin Thomas, Jake O'Brien

Version 1 posted 11 March 2024

229

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Analytical Chemistry

Working Paper

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

Denice van Herwerden, Alexandros Nikolopoulos, Leon Barron, Jake O'Brien, Bob Pirok, Kevin Thomas, Saer Samanipour

Version 3 posted 23 January 2024

498

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7 results in Denice van Herwerden in Authors: Denice van Herwerden

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data

Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data

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

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography

Naive Bayes classification model for isotopologue detection in LC-HRMS data

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

7 results in Authors: Denice van Herwerden