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7 results in Keywords: Non-targeted analysis

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

241

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Analytical Chemistry

Working Paper

A comprehensive non-targeted analysis study of the prenatal exposome

Dimitri Abrahamsson, Aolin Wang, Ting Jiang, Miaomiao Wang, Aditya Siddharth, Rachel Morello-Frosch, June-Soo Park, Marina Sirota, Tracey J. Woodruff, Dimitri Panagopoulos Abrahamsson

Version 2 posted 13 May 2021

639

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Citations

Analytical Chemistry

Working Paper

Using Machine Learning to Estimate Concentrations of Non-Targeted Chemicals Without Analytical Standards

Dimitri Abrahamsson, June-Soo Park, Marina Sirota, Tracey Woodruff

Version 1 posted 15 November 2019

494

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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

133

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Analytical Chemistry

Working Paper

Exposomic Biomonitoring of Polyphenols by Non-Targeted Analysis and Suspect Screening

Ian Oesterle, Manuel Pristner, Sabrina Berger, Mingxun Wang, Vinicius Verri Hernandes, Annette Rompel, Benedikt Warth

Version 2 posted 05 June 2023

310

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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

421

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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

434

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7 results in Non-targeted analysis in Keywords: Non-targeted analysis

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

A comprehensive non-targeted analysis study of the prenatal exposome

Using Machine Learning to Estimate Concentrations of Non-Targeted Chemicals Without Analytical Standards

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

Exposomic Biomonitoring of Polyphenols by Non-Targeted Analysis and Suspect Screening

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

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

7 results in Keywords: Non-targeted analysis