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Molecules (Basel, Switzerland)
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October 14, 2022
Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning
Fan Yang, Denice van Herwerden, Hugues Preud'homme, et al.
Journal of Cheminformatics
|
February 24, 2023
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data
Jim Boelrijk, Denice van Herwerden, Bernd Ensing, et al.
Journal of Cheminformatics
|
December 6, 2025
Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses
Alexandros Nikolopoulos, Denice van Herwerden, Viktoriia Turkina, et al.
Analytical Chemistry
|
August 12, 2025
Machine Learning for Enhanced Identification Probability in RPLC/HRMS Nontargeted Workflows
Hiu-Lok Ngan, Viktoriia Turkina, Denice van Herwerden, et al.
JACS Au
|
July 26, 2024
Exploring the Chemical Space of the Exposome: How Far Have We Gone?
Saer Samanipour, Leon Patrick Barron, Denice van Herwerden, et al.
Analytical Chemistry
|
August 7, 2023
Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data
Denice van Herwerden, Jake W O'Brien, Sascha Lege, et al.
Analytica Chimica Acta
|
July 19, 2024
Exploring the chemical subspace of RPLC: A data driven approach
Denice van Herwerden, Alexandros Nikolopoulos, Leon P Barron, et al.
Journal of Hazardous Materials
|
May 12, 2023
InSpectra - A platform for identifying emerging chemical threats
Mathieu Feraud, Jake W O'Brien, Saer Samanipour, et al.
Analytical Chemistry
|
November 1, 2022
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography
Tijmen S Bos, Jim Boelrijk, Stef R A Molenaar, et al.
Journal of Hazardous Materials
|
March 8, 2024
Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater
Richard Bade, Denice van Herwerden, Nikolaos Rousis, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Molecules (Basel, Switzerland)
|
October 14, 2022
Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning
Fan Yang, Denice van Herwerden, Hugues Preud'homme, et al.
Journal of Cheminformatics
|
February 24, 2023
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data
Jim Boelrijk, Denice van Herwerden, Bernd Ensing, et al.
Journal of Cheminformatics
|
December 6, 2025
Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses
Alexandros Nikolopoulos, Denice van Herwerden, Viktoriia Turkina, et al.
Analytical Chemistry
|
August 12, 2025
Machine Learning for Enhanced Identification Probability in RPLC/HRMS Nontargeted Workflows
Hiu-Lok Ngan, Viktoriia Turkina, Denice van Herwerden, et al.
JACS Au
|
July 26, 2024
Exploring the Chemical Space of the Exposome: How Far Have We Gone?
Saer Samanipour, Leon Patrick Barron, Denice van Herwerden, et al.
Analytical Chemistry
|
August 7, 2023
Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data
Denice van Herwerden, Jake W O'Brien, Sascha Lege, et al.
Analytica Chimica Acta
|
July 19, 2024
Exploring the chemical subspace of RPLC: A data driven approach
Denice van Herwerden, Alexandros Nikolopoulos, Leon P Barron, et al.
Journal of Hazardous Materials
|
May 12, 2023
InSpectra - A platform for identifying emerging chemical threats
Mathieu Feraud, Jake W O'Brien, Saer Samanipour, et al.
Analytical Chemistry
|
November 1, 2022
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography
Tijmen S Bos, Jim Boelrijk, Stef R A Molenaar, et al.
Journal of Hazardous Materials
|
March 8, 2024
Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater
Richard Bade, Denice van Herwerden, Nikolaos Rousis, et al.
Page
of 2