Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks
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DOI: 10.1021/acs.jcim.2c00412
Abstract: Assessing whether compounds penetrate the brain can become critical in drug discovery, either to prevent adverse events or to reach the biological target. Generally, pre-clinical in vivo studies measuring the ratio of brain and blood… read more here.
Keywords: brain penetration; vivo compound; brain; task ... See more keywords