Seid Hamzic, Richard A. Lewis, Sandrine Desrayaud, Cihan Soylu, Mike Fortunato, Grégori Gerebtzoff, Raquel Rodríguez-Pérez. Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks. Journal of Chemical Information and Computer Sciences, 62(13):3180-3190, 2022. [doi]
Abstract is missing.