A pharmaceutical-related molecules dataset for reversed-phase chromatography retention time prediction built on combining pH and gradient time conditions

por Van Laethem, Thomas, Kumari, Priyanka, Hubert, Philippe, Fillet, Marianne, Sacré, Pierre-Yves, Hubert, Cédric
Publicado 2022

Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy

por Kumari, Priyanka, Van Laethem, Thomas, Hubert, Philippe, Fillet, Marianne, Sacré, Pierre-Yves, Hubert, Cédric
Publicado 2023

User-Driven Strategy for In Silico Screening of Reversed-Phase Liquid Chromatography Conditions for Known Pharmaceutical-Related Small Molecules

por Van Laethem, Thomas, Kumari, Priyanka, Boulanger, Bruno, Hubert, Philippe, Fillet, Marianne, Sacré, Pierre-Yves, Hubert, Cédric
Publicado 2022