Deep learning meets quantitative structure–activity relationship (QSAR) for leveraging structure-based prediction of solute rejection in organic solvent nanofiltration
Gergő Ignácz, György Székely
Topics & Concepts
Quantitative structure–activity relationshipNanofiltrationMembranePartial least squares regressionSolventRegressionBiological systemArtificial neural networkArtificial intelligenceDeep learningMean squared errorGraphChemistryComputer scienceFunction (biology)Machine learningMathematicsStatisticsOrganic chemistryTheoretical computer scienceEvolutionary biologyBiochemistryBiologyMembrane Separation TechnologiesMembrane-based Ion Separation TechniquesFuel Cells and Related Materials