Molecular fingerprint-aided prediction of organic solute rejection in reverse osmosis and nanofiltration
Sangsuk Lee, Michael R. Shirts, Anthony P. Straub
Topics & Concepts
NanofiltrationInterpretabilityReverse osmosisMembraneBiological systemChemistryFingerprint (computing)Molecular descriptorUltrafiltration (renal)OsmosisWork (physics)Quantitative structure–activity relationshipProcess engineeringComputer scienceChromatographyArtificial intelligenceThermodynamicsEngineeringPhysicsStereochemistryBiologyBiochemistryMachine Learning in Materials ScienceSARS-CoV-2 detection and testingAdvanced biosensing and bioanalysis techniques