Generative design of singlet fission materials leveraging a fragment-oriented database
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DOI: 10.1039/d5sc03184b
Abstract: Recently, we leveraged the FORMED repository made up of 116 687 synthesizeable molecules to deploy fragment-based high-throughput virtual screening (HTVS) and genetic algorithm (GA) searches of singlet fission (SF) molecular candidates. With these approaches, both prototypical… read more here.
Keywords: fission materials; fragment; design singlet; singlet fission ... See more keywords