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DUD-E and PDBBind

A new benchmark dataset for structure-based virtual screening, constructed based on DUD-E and PDBBind databases.

Data and Resources

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Cite this as

Adam Gonczarek, Jakub M. Tomczak, Szymon Zar˛eba, Joanna Kaczmar, Piotr D ˛abrowski, Michał J. Walczak (2024). Dataset: DUD-E and PDBBind. https://doi.org/10.57702/z5hwir4u

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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 2, 2024
Last update	December 2, 2024
Author	Adam Gonczarek
More Authors	Jakub M. Tomczak Szymon Zar˛eba Joanna Kaczmar Piotr D ˛abrowski Michał J. Walczak
Homepage	https://doi.org/10.1007/s10877-016-0945-4