Table 2 Statistics of collected DTI datasets
From: Sequence-based prediction of protein binding regions and drug–target interactions
Dataset | No. of compounds | No. of proteins | No. of positive DTIs | No. of negative DTIs | |
|---|---|---|---|---|---|
DTI training dataset | DrugBank (v2020) | 5080 | 2685 | 14,679 | − |
KEGG (v2020) | 4033 | 772 | 11,835 | − | |
IUPHAR (v2020) | 6295 | 2017 | 14,282 | − | |
Total | 12,814 | 3789 | 36,152 | 72,304 | |
DTI validation dataset | MATADOR | 252 | 145 | 307 | − |
Liu et al | 255 | 410 | − | 508 | |
Total | 499 | 538 | 307 | 508 | |
DTI test dataset | DTI test dataset 1a | 21,459 | 1453 | 20,391 | 20,391 |
DTI test dataset 2b | 4991 | 134 | 5001 | 5001 |