You're currently viewing an old version of this dataset. To see the current version, click here.

GEOM-Drug

Small molecule drugs perform biological functions by binding to particular protein pockets based on their 3D structures. Recently, both academia and industry started to focus on designing small molecule drugs in the 3D space instead of only using 2D graphs.

Data and Resources

This dataset has no data

Cite this as

Gebauer et al., Luo & Ji, Li et al., Liu et al., Peng et al., Roney et al., Schneuing et al., Wu et al., Xu et al., You et al., Zhou et al. (2024). Dataset: GEOM-Drug. https://doi.org/10.57702/pxpo3ugi

Private DOI This DOI is not yet resolvable.
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.2305.07508
Author	Gebauer et al.
More Authors	Luo & Ji Li et al. Liu et al. Peng et al. Roney et al. Schneuing et al. Wu et al. Xu et al. You et al. Zhou et al.
Homepage	https://doi.org/10.1038/s41597-022-01288-4