Scaffolds as classes over drug-like chemical space

The ScaffoldGraph dataset is a collection of scaffolds and molecules.

Data and Resources

Cite this as

Austin Clyde, Ashka Shah, Max Zvyagin, Arvind Ramanathan, Rick Stevens (2024). Dataset: Scaffolds as classes over drug-like chemical space. https://doi.org/10.57702/kskrs7b7

DOI retrieved: December 16, 2024

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Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.48550/arXiv.2109.05012
Author Austin Clyde
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Ashka Shah
Max Zvyagin
Arvind Ramanathan
Rick Stevens