Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis
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DOI: 10.1021/acs.jcim.3c00069
Abstract: The nation's opioid overdose deaths reached an all-time high in 2021. The majority of deaths are due to synthetic opioids represented by fentanyl. Naloxone, which is a FDA-approved reversal agent, antagonizes opioids through competitive binding… read more here.
Keywords: structure kinetics; machine; relationships opioids; machine learning ... See more keywords