Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential
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DOI: 10.1021/acscentsci.2c00897
Abstract: Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans–cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it controls… read more here.
Keywords: machine learning; thermal half; azobenzene derivatives; lives azobenzene ... See more keywords