![]() ![]() | Van Laethem, T. (2025). Towards liquid chromatography method development driven by in silico screening [Doctoral thesis, ULiège - Université de Liège]. ORBi-University of Liège. https://orbi.uliege.be/handle/2268/326882 |
![]() ![]() | Van Laethem, T., Kumari, P., Boulanger, B., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (15 October 2024). Uncertainty management for In Silico screening of reversed-phase liquid chromatography methods for small compounds. Journal of Pharmaceutical and Biomedical Analysis, 249, 116373. doi:10.1016/j.jpba.2024.116373 ![]() |
![]() ![]() | Kumari, P., Guilherme, M. S. R., Choudhary, P., Van Laethem, T., Fillet, M., Hubert, P., Sacre, P.-Y., & Hubert, C. (14 October 2024). Transfer Learning Approach to Multitarget QSRR Modeling in RPLC. Journal of Chemical Information and Modeling, 64 (19), 7447 - 7456. doi:10.1021/acs.jcim.4c00608 ![]() |
![]() ![]() | Zhang, Y., Houari, S., Van Laethem, T., Hubert, P., & Hubert, C. (10 September 2024). Simultaneous detection of unspecific trace N-nitrosamine impurities by LC-MS/MS in a pharmaceutical formulation [Paper presentation]. 34th International Symposium on Pharmaceutical and Biomedical Analysis (PBA 2024), Genève, Switzerland. |
![]() ![]() | Zhang, Y., Houari, S., Van Laethem, T., Dispas, A., Hubert, P., & Hubert, C. (31 January 2024). Development and validation of an LC-MS/MS method for screening and quantification of trace N-nitrosamines in a pharmaceutical formulation [Paper presentation]. CIRM-day. |
![]() ![]() | Kumari, P., Van Laethem, T., Duroux, D., Fillet, M., Hubert, P., Sacre, P.-Y., & Hubert, C. (04 September 2023). A multi-target QSRR approach to model retention times of small molecules in RPLC. Journal of Pharmaceutical and Biomedical Analysis, 236, 115690. doi:10.1016/j.jpba.2023.115690 ![]() ![]() |
![]() ![]() | Zhang, Y., Van Laethem, T., Ziémons Thibault, Dispas, A., Hubert, P., & Hubert, C. (2023). Détermination de nitrosamines dans une matrice médicamenteuse par LC-MS/MS : préparation d’échantillon et défis analytiques. |
![]() ![]() | Horne, J., De Bleye, C., Lebrun, P., Kemik, K., Van Laethem, T., Sacre, P.-Y., Hubert, P., Hubert, C.* , & Ziemons, E.*. (2023). Optimization of silver nanoparticles synthesis by chemical reduction to enhance SERS quantitative performances: early characterization using the quality by design approach. Journal of Pharmaceutical and Biomedical Analysis, 115475. doi:10.1016/j.jpba.2023.115475 ![]() * These authors have contributed equally to this work. |
![]() ![]() | Zhang, Y., Thibault, Z., Van Laethem, T., Dispas, A., Hubert, C., & Hubert, P. (27 April 2023). In-silico-assisted development of LC-MS/MS methods for the determination of 17 N-nitrosamines in a drug matrix [Paper presentation]. 21st FORUM OF PHARMACEUTICAL SCIENCES. |
![]() ![]() | Zhang, Y., Van Laethem, T., Ziémons, T., Dispas, A., Hubert, P., & Hubert, C. (28 March 2023). Développement assisté in silico d’une méthode LC-MS/MS pour la détermination de 17 nitrosamines dans une matrice médicamenteuse [Paper presentation]. 15ème Congrès de l'Association Francophone des Sciences Séparatives (SEP23), Paris, France. |
![]() ![]() | Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (10 February 2023). Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy. Molecules, 28 (4), 1696. doi:10.3390/molecules28041696 ![]() |
![]() ![]() | Priyanka Kumari, Van Laethem, T., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (01 February 2023). A multi-target QSRR(mT-QSRR) approach to model retention time of small pharmaceutical compounds in RPLC [Paper presentation]. CIRM DAY 2023, Liege, Belgium. |
![]() ![]() | Zhang, Y., Ziémons, T., Van Laethem, T., Dispas, A., Hubert, P., & Hubert, C. (01 February 2023). In-silico-assisted development of LC-MS/MS methods for the determination of 17 N-nitrosamines in a drug matrix [Paper presentation]. CIRM-day. |
![]() ![]() | Van Laethem, T., Kumari, P., Boulanger, B., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (28 November 2022). User-Driven Strategy for In Silico Screening of Reversed-Phase Liquid Chromatography Conditions for Known Pharmaceutical-Related Small Molecules. Molecules, 27 (23), 8306. doi:10.3390/molecules27238306 ![]() |
![]() ![]() | Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (04 July 2022). QSRR for small pharmaceutical compounds in RPLC: A Machine learning approach [Paper presentation]. 18th Chemometrics in Analytical Chemistry Conference, Rome, Italy. |
![]() ![]() | Van Laethem, T., Kumari, P., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (June 2022). A pharmaceutical-related molecules dataset for reversed-phase chromatography retention time prediction built on combining pH and gradient time conditions. Data in Brief, 42, 108017. doi:10.1016/j.dib.2022.108017 ![]() |
![]() ![]() | Van Laethem, T., Kumari, P., Fillet, M., Hubert, P., Hubert, C., & Sacre, P.-Y. (18 May 2022). In-silico screening for the development of robust reversed-phase liquid chromatography methods of known small molecules based on QSRR and desirability index [Paper presentation]. 17th International Symposium on Hyphenated Techniques in Chromatography and Separation Technology (HTC-17), Gent, Belgium. ![]() |
![]() ![]() | Van Laethem, T., Kumari, P., Fillet, M., Hubert, P., Hubert, C., & Sacre, P.-Y. (02 February 2022). Elaboration of a strategy for in silico screening for reversed-phase liquid chromatography method development [Paper presentation]. CIRM-day 2022, Liège, Belgium. |
![]() ![]() | Van Laethem, T., Kumari, P., Fillet, M., Hubert, P., Hubert, C., & Sacre, P.-Y. (05 October 2021). Modélisation du temps de rétention de petites molécules pharmaceutiques en chromatographie liquide en phase inverse basée sur le QSRR et les surfaces de réponse [Poster presentation]. 14ème Congrès Francophone sur les Sciences Séparatives et les Couplages de l'AFSEP, Paris, France. ![]() |
![]() ![]() | Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Hubert, C., & Sacre, P.-Y. (22 July 2021). A QSRR modelling of small pharmaceutical compounds in Reverse Phase Liquid Chromatography [Paper presentation]. MLSS 2021 TAIPEI (Machine Learning Summer School), TAIPEI, Taiwan. |
![]() ![]() | Van Laethem, T., Kumari, P., Hubert, P., Fillet, M., Hubert, C., & Sacre, P.-Y. (24 May 2021). Adaptive response surface model of small pharmaceutical compounds in reverse phase liquid chromatography [Paper presentation]. CIRM-day 2021, Liège, Belgium. |
![]() ![]() | Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Hubert, C., & Sacre, P.-Y. (03 February 2021). Quantitative structure-retention relationship modelling of small pharmaceutical compounds in reverse phase liquid chromatography [Paper presentation]. Chimiométrie. |
![]() ![]() | Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Hubert, C., & Sacre, P.-Y. (03 February 2021). Quantitative structure-retention relationship modelling of small pharmaceutical compounds in reverse phase liquid chromatography [Paper presentation]. e-CHIMIOMETRIE 2021. ![]() |
Kumari, P., Van Laethem, T., Hubert, P., Fillet, M., Sacre, P.-Y., & Hubert, C. (2021). QSRR modelling of small pharmaceutical compounds in Liquid Chromatography [Paper presentation]. Summer Research internship, Milan, Italy. |
![]() ![]() | Hubert, C., Deidda, R., Dispas, A., Van Laethem, T., Zhao, X., Lebrun, P., & Hubert, P. (28 January 2020). Implementing principles of Analytical Quality by Design (AQbD) for method development in quality control environment [Paper presentation]. 16th International Symposium on Hyphenated Techniques in Chromatography and Separation technology, Ghent, Belgium. |