D. (Denice) van Herwerden MSc
Faculty of Science
Van 't Hoff Institute for Molecular Sciences
Visiting address
- Science Park 904
Postal address
- Postbus 94157
1090 GD Amsterdam
Contact details
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Publications
2023
- Boelrijk, J., van Herwerden, D., Ensing, B., Forré, P., & Samanipour, S. (2023). Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of Cheminformatics, 15(1), 28. https://doi.org/10.1186/s13321-023-00699-8
2022
Bos, T. S., Boelrijk, J., Molenaar, S. R. A., Veer, B. V. ., Niezen, L. E., van Herwerden, D., Samanipour, S., Stoll, D. R., Forré, P., Ensing, B., Somsen, G. W., & Pirok, B. W. J. (2022). Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical Chemistry, 94(46), 16060-16068. https://doi.org/10.1021/acs.analchem.2c03160 [details]- Yang, F., van Herwerden, D., Preud’homme, H., & Samanipour, S. (2022). Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning. Molecules, 27(19), [6424]. https://doi.org/10.3390/molecules27196424 [details]
- van Herwerden, D., O'Brien, J. W., Choi, P. M., Thomas, K. V., Schoenmakers, P., & Samanipour, S. (2022). Naive Bayes classification model for isotopologue detection in LC-HRMS data. Chemometrics and Intelligent Laboratory Systems, 223, [104515]. https://doi.org/10.1016/j.chemolab.2022.104515 [details]
2021
- Schulze, B., van Herwerden, D., Allan, I., Bijlsma, L., Etxebarria, N., Hansen, M., Merel, S., Vrana, B., Aalizadeh, R., Bajema, B., Dubocq, F., Coppola, G., Fildier, A., Fialová, P., Frøkjær, E., Grabic, R., Gago-Ferrero, P., Gravert, T., Hollender, J., ... Samanipour, S. (2021). Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Scientific Data, 8, [223]. https://doi.org/10.1038/s41597-021-01002-w [details]
2020
- van Herwerden, D., Pirok, B. W. J., & Schoenmakers, P. J. (2020). Liquid Chromatography: Applications for the Oil and Gas Industry. In M. N. Dunkle, & W. L. Winniford (Eds.), Analytical Techniques in the Oil and Gas Industry for Environmental Monitoring (pp. 225-258). Wiley. https://doi.org/10.1002/9781119523314.ch5 [details]
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Ancillary activities
No ancillary activities
Bos, T. S., Boelrijk, J., Molenaar, S. R. A., Veer, B. V. ., Niezen, L. E., van Herwerden, D., Samanipour, S., Stoll, D. R., Forré, P., Ensing, B., Somsen, G. W., & Pirok, B. W. J. (2022). Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical Chemistry, 94(46), 16060-16068.