| Naive Bayes classification model for isotopologue detection in LC-HRMS data D van Herwerden, JW O'Brien, PM Choi, KV Thomas, PJ Schoenmakers, ... Chemometrics and Intelligent Laboratory Systems 223, 104515, 2022 | 25 | 2022 |
| Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis B Schulze, D van Herwerden, I Allan, L Bijlsma, N Etxebarria, M Hansen, ... Scientific data 8 (1), 223, 2021 | 23 | 2021 |
| Chemometric strategies for fully automated interpretive method development in liquid chromatography TS Bos, J Boelrijk, SRA Molenaar, B van’t Veer, LE Niezen, ... Analytical chemistry 94 (46), 16060-16068, 2022 | 21 | 2022 |
| InSpectra–A platform for identifying emerging chemical threats M Feraud, JW O’Brien, S Samanipour, P Dewapriya, D van Herwerden, ... Journal of Hazardous Materials 455, 131486, 2023 | 16 | 2023 |
| Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data J Boelrijk, D van Herwerden, B Ensing, P Forré, S Samanipour Journal of Cheminformatics 15 (1), 28, 2023 | 11 | 2023 |
| Collision cross section prediction with molecular fingerprint using machine learning F Yang, D van Herwerden, H Preud’homme, S Samanipour Molecules 27 (19), 6424, 2022 | 11 | 2022 |
| Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater R Bade, D van Herwerden, N Rousis, S Adhikari, D Allen, C Baduel, ... Journal of hazardous materials 469, 133955, 2024 | 9 | 2024 |
| Exploring the Chemical space of the exposome: how far have we gone? S Samanipour, LP Barron, D van Herwerden, A Praetorius, KV Thomas, ... JACS Au 4 (7), 2412-2425, 2024 | 6 | 2024 |
| Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data D van Herwerden, JW O’Brien, S Lege, BWJ Pirok, KV Thomas, ... Analytical Chemistry 95 (33), 12247-12255, 2023 | 6 | 2023 |
| Inter‑laboratory mass spectrometry dataset based on passive sampling of drinking water for non‑target analysis. Sci Data 8: 223 B Schulze, D van Herwerden, I Allan, L Bijlsma, N Etxebarria, M Hansen, ... | 5 | 2021 |
| Exploring the chemical subspace of RPLC: A data driven approach D van Herwerden, A Nikolopoulos, LP Barron, JW O'Brien, BWJ Pirok, ... Analytica Chimica Acta 1317, 342869, 2024 | 4 | 2024 |
| Liquid Chromatography: Applications for the Oil and Gas Industry D van Herwerden, BWJ Pirok, PJ Schoenmakers Analytical Techniques in the Oil and Gas Industry for Environmental …, 2020 | 1 | 2020 |
| Machine Learning for Enhanced Identification in RPLC/HRMS Non-Targeted Workflows HL NGAN, V Turkina, D van Herwerden, H Yan, Z Cai, S Samanipour | | 2025 |
| Integration of Transferable Prediction of Retention Index and Universal Library Search Enhances Exposome Identification Probability in RPLC/HRMS-Based Non-Targeted Analysis HL NGAN, V Turkina, D van Herwerden, H Yan, Z Cai, S Samanipour | | 2024 |
| Modular Open-access and Open-source julia language Toolbox for Processing of HRMS Data: jHRMSToolBox D van Herwerden, E Kant, M Jackson, C Fender, M Garcia-Jaramillo, ... | | 2024 |
| Computational non-targeted analysis strategies for exploring the exposome chemical space D van Herwerden | | 2024 |