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Table 1 Dataset details (a) Golden-standard dataset (b) ChEMBL-based dataset

From: Novel drug-target interactions via link prediction and network embedding

(a) Golden_standarad_dataset # Drug # Target # Negative/unknown DTI # Positive interaction Class ratio
Enzyme (E) 445 664 292,554 2926 0.01
Ion channel (IC) 210 204 41,364 1476 0.04
G-protein-coupled receptors (GPCR) 223 95 20,550 635 0.03
Nuclear receptor (NR) 54 26 1314 90 0.07
Total 791 989 777,172 5127 0.01
(b) ChEMBL_dataset # Drug # Target # Real negative DTI # Positive interaction*, † Class ratio
CheMBL 548 556 2057 1721 0.84
  # Weak DTI** # Unknown DTI    
  532 300,378    
  1. *pChEMBL value ≥ 5.5, **pChEMBL value > 0, Development-dataset, Experimental-dataset