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Lit-pcba: an unbiased data set for machine learning and virtual screening

The LIT-PCBA dataset contains experimentally confirmed active and inactive compounds for 15 targets.

Data and Resources

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Cite this as

Viet-Khoa Tran-Nguyen, Célien Jacquemard, Didier Rognan (2024). Dataset: Lit-pcba: an unbiased data set for machine learning and virtual screening. https://doi.org/10.57702/8ifvikzs

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Additional Info

Field	Value
Created	December 2, 2024
Last update	December 2, 2024
Defined In	https://doi.org/10.48550/arXiv.2310.06367
Author	Viet-Khoa Tran-Nguyen
More Authors	Célien Jacquemard Didier Rognan
Homepage	https://onlinelibrary.wiley.com/doi/full/10.1002/chem.202000142