Renai, L., Calabró, F., Turkina, V., Dewapriya, P., Thomas, K. V., Papazian, S., & Samanipour, S. (2026). Understanding and Reporting PFAS Exposure: Wide-Scope Retrospective Suspect Screening of High-Resolution Mass Spectrometry Data from Exposomics Studies. Environmental science & technology. Advance online publication. https://doi.org/10.1021/acs.est.6c03864
Renai, L., Turkina, V., Chojnacka, A., Gargano, A. F. G., & Samanipour, S. (2026). Measurable Feature Prediction for Estimating Chemical Space Coverage in LC-ESI-HRMS Nontargeted Analysis. Analytical Chemistry, 98(10), 7637-7643. https://doi.org/10.1021/acs.analchem.5c07705
Turkina, V., van Erp, Q., Petrignani, A., Corthals, G., O'Brien, J. W., & Samanipour, S. (2026). From Spectra to Local Networks: Evaluating MS2 Similarity Metrics. Analytical Chemistry, 98(24), 17937-17947. https://doi.org/10.1021/acs.analchem.6c01202
2025
Ngan, H.-L., Turkina, V., van Herwerden, D., Yan, H., Cai, Z., & Samanipour, S. (2025). Machine Learning for Enhanced Identification Probability in RPLC/HRMS Nontargeted Workflows. Analytical Chemistry, 97(33), 18028-18035. https://doi.org/10.1021/acs.analchem.5c01873
NGAN, H.-L., Yan, H., Viktoriia, T., van Herwerden, D., Cai, Z. & Samanipour, S. (7-2025). Additional Data from: Machine Learning for Enhanced Identification Probability in RPLC/HRMS Non-Targeted Workflows. Zenodo. https://doi.org/10.5281/zenodo.14752891
NGAN, H.-L., Turkina, V., van Herwerden, D., Yan, H., Cai, Z. & Samanipour, S. (28-1-2025). Additional Data from: Machine Learning for Enhanced Identification in RPLC/HRMS Non-Targeted Workflows. Zenodo. https://doi.org/10.5281/zenodo.14752892
Nikolopoulos, A., van Herwerden, D., Turkina, V., Kruve, A., Baerenfaenger, M., & Samanipour, S. (2025). Ionization efficiency prediction of electrospray ionization mass spectrometry analytes based on molecular fingerprints and cumulative neutral losses. Journal of Cheminformatics, 17(1), Article 183. https://doi.org/10.1186/s13321-025-01129-7
Renai, L., Turkina, V., Hulleman, T., Nikolopoulos, A., Gargano, A. F. G., Amato, E. D., Del Bubba, M., & Samanipour, S. (2025). A Novel Chemical-Space-Dependent Strategy for Compound Selection in Non-target LC-HRMS Method Development Using Physicochemical and Structural Data. Environmental Science and Technology Letters, 12(9), 1162-1168. https://doi.org/10.1021/acs.estlett.5c00759
Turkina, V., Gringhuis, J. T., Boot, S., Petrignani, A., Corthals, G., Praetorius, A., O’Brien, J. W., & Samanipour, S. (2025). Prioritization of Unknown LC-HRMS Features Based on Predicted Toxicity Categories. Environmental Science and Technology, 59(16), 8004-8015. https://doi.org/10.1021/acs.est.4c13026
2023
Hulleman, T., Turkina, V., O'Brien, J. W., Chojnacka, A., Thomas, K. V., & Samanipour, S. (2023). Critical Assessment of the Chemical Space Covered by LC-HRMS Non-Targeted Analysis. Environmental Science and Technology, 57(38), 14101-14492. https://doi.org/10.1021/acs.est.3c03606[details]
Hulleman, T., Samanipour, S., Turkina, V., Li, J., Rauert, C., Okoffo, E., Thomas, K. & O'Brien, J. (14-11-2025). Data for: Prioritisation of persistent known and unknown chemicals using synthetic accessibility and tandem mass spectrometry. Zenodo. https://doi.org/10.5281/zenodo.17605034
Turkina, V. & Samanipour, S. (8-7-2025). Enhancing Predictive Modeling with Molecular Fingerprint Fusion Strategies. Zenodo. https://doi.org/10.5281/zenodo.15791758
NGAN, H.-L., Yan, H., Viktoriia, T., van Herwerden, D., Cai, Z. & Samanipour, S. (7-2025). Additional Data from: Machine Learning for Enhanced Identification Probability in RPLC/HRMS Non-Targeted Workflows. Zenodo. https://doi.org/10.5281/zenodo.14752891
NGAN, H.-L., Turkina, V., van Herwerden, D., Yan, H., Cai, Z. & Samanipour, S. (28-1-2025). Additional Data from: Machine Learning for Enhanced Identification in RPLC/HRMS Non-Targeted Workflows. Zenodo. https://doi.org/10.5281/zenodo.14752892
De UvA gebruikt cookies voor het meten, optimaliseren en goed laten functioneren van de website. Ook worden er cookies geplaatst om inhoud van derden te kunnen tonen en voor marketingdoeleinden. Klik op ‘Accepteren’ om akkoord te gaan met het plaatsen van alle cookies. Of kies voor ‘Weigeren’ om alleen functionele en analytische cookies te accepteren. Je kunt je voorkeur op ieder moment wijzigen door op de link ‘Cookie instellingen’ te klikken die je onderaan iedere pagina vindt. Lees ook het UvA Privacy statement.