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 |
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 |
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 |
Kumari, P., Bikram Pradhan, Maria Koromina, George P. Patrinos, & Van Steen, K. (2022). Discovery of new drug indications for COVID- 19: A drug repurposing approach. PLoS ONE, 17 (5), 0267095. doi:10.1371/journal.pone.0267095 |