COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systems
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DOI: 10.1038/s41597-024-02927-8
Abstract: Polycyclic aromatic systems are highly important to numerous applications, in particular to organic electronics and optoelectronics. High-throughput screening and generative models that can help to identify new molecules to advance these technologies require large amounts… read more here.
Keywords: dataset; polycyclic aromatic; systems compas; hetero ... See more keywords