Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach
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DOI: 10.1021/acs.jcim.1c00856
Abstract: Psychostimulant drugs, such as cocaine, inhibit dopamine reuptake via blockading the dopamine transporter (DAT), which is the primary mechanism underpinning their abuse. Atypical DAT inhibitors are dissimilar to cocaine and can block cocaine- or methamphetamine-induced… read more here.
Keywords: molecular modeling; machine learning; atypical dat; dat inhibitors ... See more keywords