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Table 2 Curated CSAR dataset

From: When drug discovery meets web search: Learning to Rank for ligand-based virtual screening

Target CDK2 CDK2-CyclinA LPXC Chk1 Erk2 Urokinase
Ligand number 25 25 - 110 52 35
Activity measurement Kd Kd - pIC50 pKi pKi
Used No No No YES YES YES
  1. In the original CSAR dataset, LPXC has no compound affinity information, and the compound affinity associated with CDK2 and CDK2-CyclinA were measured with Kd value, which is a rough way to measure the affinity of combination rather than the exactly activity. These three targets were not selected in the final curated dataset.