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Table 1 Davis kinase binding affinity dataset: unique kinases, kinase inhibitors, and DTIs before and after pre-processing

From: Explainable deep drug–target representations for binding affinity prediction

 

Proteins

Compounds

DTI

pKd = 5

pKd > 5

Davis kinase dataset

     

Non-processed

442

72

31,824

22,400

9424

Pre-processed

423

69

29,187

20,479

8708