Assessment of blood–brain barrier permeability using micellar electrokinetic chromatography and P_VSA-like descriptors
Krzesimir Ciura, Szymon Ulenberg, Hanna Kapica, Piotr Kawczak, Mariusz Belka, Tomasz Bączek
Topics & Concepts
Micellar electrokinetic chromatographyMolecular descriptorChemistryBlood–brain barrierElectrokinetic phenomenaPulmonary surfactantChromatographyBiological systemLinear regressionTraining setCapillary electrophoresisComputer scienceArtificial intelligenceQuantitative structure–activity relationshipMachine learningCentral nervous systemStereochemistryNeuroscienceBiochemistryBiologyPhysical chemistryAnalytical Chemistry and ChromatographyComputational Drug Discovery MethodsMicrofluidic and Capillary Electrophoresis Applications