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GDB-17

The GDB-17 dataset is systematically generated based on the molecular connectivity graphs and covers a complete and unbiased enumeration of the chemical compound space of small and stable organic molecules.

Data and Resources

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Cite this as

Gebauer, Gastegger, Sch¨utt (2024). Dataset: GDB-17. https://doi.org/10.57702/8ok480q6

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It is available for use in manuscripts, and will be published when the Dataset is made public.

Additional Info

Field	Value
Created	December 3, 2024
Last update	December 3, 2024
Defined In	https://doi.org/10.48550/arXiv.2010.06477
Author	Gebauer
More Authors	Gastegger Sch¨utt
Homepage	https://doi.org/10.1039/C2CC40091F