Denice van Herwerden

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography

Tijmen S. Bos, Jim Boelrijk, Stef R.A. Molenaar et al. · Analytical Chemistry · 2022 · 35 citations · Full text

Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis

Bastian Schulze, Denice van Herwerden, Ian Allan et al. · Scientific Data · 2021 · 29 citations · Full text

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

Denice van Herwerden, Jake O’Brien, Phil M. Choi et al. · Chemometrics and Intelligent Laboratory Systems · 2022 · 27 citations · Full text

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 · 2023 · 25 citations · Full text

Hit Identification, Chemical Analysis, Non-target Analysis +21

Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning

Fan Yang, Denice van Herwerden, Hugues Preud’homme et al. · Molecules · 2022 · 20 citations · Full text