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

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

DOI retrieved: December 2, 2024

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
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Célien Jacquemard
Didier Rognan
Homepage https://onlinelibrary.wiley.com/doi/full/10.1002/chem.202000142