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novartis-realistic-train-test-split

Martin, Eric J., et al. "All-Assay-Max2 pQSAR: Activity Predictions as
Accurate as Four-Concentration IC50s for 8558 Novartis Assays."
Journal of chemical information and modeling 59.10 (2019): 4450-4459.
https://pubs.acs.org/doi/10.1021/acs.jcim.9b00375