BiGranMolNet: A deep learning method for predicting blood-brain barrier permeability based on Bi-Granularity Molecular Graphs
OBJECTIVE The selective permeability of the blood-brain barrier (BBB) hinders the delivery of central nervous system (CNS) drugs to brain targets. It is therefore crucial to determine BBB permeability during CNS drug development. METHODS We propose BiGranMolNet (Bi-Granularity Molecular Graph Network), a BBB permeabi...