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Drug prediction with KNN method KNN method is a kind of the classical data mining methods and it also has been used to predict drug penetration of BBB in many years

Mass spectra were acquired on a High Resolution Mass Spectrometer Orbitrap, Q-Exactive (Thermo Fisher Scientific) equipped with electrospray ionization (H-ESI-II), coupled to a Liquid Chromatographer Dionex Ultimate 3000 HPLC system (Thermo Fisher Scientific) equipped with a Accucore RP-MS column (50 2.1 mm ID, 2.6 m) (Thermo Scientific)

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