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

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

DOI retrieved: December 3, 2024

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