COMPAS-2: a dataset of cata-condensed hetero-polycyclic aromatic systems
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 of high-quality da...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-01-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-024-02927-8 |