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A hybrid approach to aqueous solubility prediction using COSMO-RS and machine learning

Niamh Mac Fhionnlaoich, Jacek Żegliński, Melba Simon, Barbara Wood, Sharon Davin, Brian Glennon

2024Process Safety and Environmental Protection16 citationsDOI

Topics & Concepts

SolubilityAqueous solutionComputer scienceMachine learningChemistryArtificial intelligenceProcess engineeringEnvironmental scienceEngineeringOrganic chemistryCrystallization and Solubility StudiesAnalytical Chemistry and ChromatographyProcess Optimization and Integration
A hybrid approach to aqueous solubility prediction using COSMO-RS and machine learning | Litcius