Machine learning with active pharmaceutical ingredient/polymer interaction mechanism: Prediction for complex phase behaviors of pharmaceuticals and formulations
Kai Ge, Yiping Huang, Yuanhui Ji
Topics & Concepts
Active ingredientSolubilityPhase equilibriumPolymerMolecular descriptorComputer scienceMachine learningPhase (matter)ChemistryArtificial intelligenceBiochemical engineeringOrganic chemistryQuantitative structure–activity relationshipEngineeringBioinformaticsBiologyCrystallization and Solubility StudiesComputational Drug Discovery MethodsAnalytical Chemistry and Chromatography