Table 3.
Prediction performance on GPCRs dataset for each pair of drug-target feature groups by the use of kNN classifier.
| PCA | D i | Rec | Acc | Prec | F1 |
|---|---|---|---|---|---|
| 1 | 1 | 0.988 | 0.349 | 0.337 | 0.503 |
| 1 | 2 | 0.895 | 0.419 | 0.353 | 0.507 |
| 1 | 3 | 0.988 | 0.349 | 0.337 | 0.503 |
| 1 | 4 | 0.988 | 0.357 | 0.340 | 0.506 |
| 1 | 5 | 0.581 | 0.628 | 0.455 | 0.510 |
| 1 | 6 | 0.930 | 0.411 | 0.354 | 0.513 |
| 1 | 7 | 0.314 | 0.709 | 0.628 | 0.419 |
| Average | 0.812 | 0.460 | 0.401 | 0.494 | |
|
| |||||
| 2 | 1 | 1.000 | 0.353 | 0.340 | 0.507 |
| 2 | 2 | 0.895 | 0.422 | 0.355 | 0.508 |
| 2 | 3 | 0.988 | 0.345 | 0.336 | 0.501 |
| 2 | 4 | 0.988 | 0.349 | 0.337 | 0.503 |
| 2 | 5 | 0.570 | 0.636 | 0.462 | 0.510 |
| 2 | 6 | 0.907 | 0.426 | 0.358 | 0.513 |
| 2 | 7 | 0.279 | 0.717 | 0.686 | 0.397 |
| Average | 0.804 | 0.464 | 0.411 | 0.491 | |
|
| |||||
| 3 | 1 | 0.988 | 0.349 | 0.337 | 0.503 |
| 3 | 2 | 0.942 | 0.391 | 0.348 | 0.508 |
| 3 | 3 | 0.988 | 0.349 | 0.337 | 0.503 |
| 3 | 4 | 0.988 | 0.349 | 0.337 | 0.503 |
| 3 | 5 | 0.500 | 0.632 | 0.453 | 0.475 |
| 3 | 6 | 0.930 | 0.419 | 0.357 | 0.516 |
| 3 | 7 | 0.419 | 0.736 | 0.667 | 0.514 |
| Average | 0.822 | 0.461 | 0.405 | 0.503 | |
|
| |||||
| 4 | 1 | 0.988 | 0.349 | 0.337 | 0.503 |
| 4 | 2 | 0.895 | 0.415 | 0.352 | 0.505 |
| 4 | 3 | 1.000 | 0.345 | 0.337 | 0.504 |
| 4 | 4 | 1.000 | 0.349 | 0.339 | 0.506 |
| 4 | 5 | 0.558 | 0.632 | 0.457 | 0.503 |
| 4 | 6 | 0.942 | 0.419 | 0.358 | 0.519 |
| 4 | 7 | 0.314 | 0.713 | 0.643 | 0.422 |
| Average | 0.814 | 0.460 | 0.403 | 0.495 | |
|
| |||||
| 5 | 1 | 0.988 | 0.357 | 0.340 | 0.506 |
| 5 | 2 | 0.895 | 0.415 | 0.352 | 0.505 |
| 5 | 3 | 0.988 | 0.349 | 0.337 | 0.503 |
| 5 | 4 | 0.988 | 0.349 | 0.337 | 0.503 |
| 5 | 5 | 0.570 | 0.609 | 0.434 | 0.492 |
| 5 | 6 | 0.930 | 0.407 | 0.352 | 0.511 |
| 5 | 7 | 0.419 | 0.686 | 0.537 | 0.471 |
| Average | 0.825 | 0.453 | 0.384 | 0.499 | |
|
| |||||
| 6 | 1 | 0.988 | 0.349 | 0.337 | 0.503 |
| 6 | 2 | 0.895 | 0.426 | 0.356 | 0.510 |
| 6 | 3 | 0.988 | 0.349 | 0.337 | 0.503 |
| 6 | 4 | 1.000 | 0.345 | 0.337 | 0.504 |
| 6 | 5 | 0.535 | 0.640 | 0.465 | 0.497 |
| 6 | 6 | 0.942 | 0.419 | 0.358 | 0.519 |
| 6 | 7 | 0.337 | 0.733 | 0.707 | 0.457 |
| Average | 0.812 | 0.466 | 0.414 | 0.499 | |
|
| |||||
| 7 | 1 | 0.988 | 0.349 | 0.337 | 0.503 |
| 7 | 2 | 0.930 | 0.403 | 0.351 | 0.510 |
| 7 | 3 | 1.000 | 0.357 | 0.341 | 0.509 |
| 7 | 4 | 0.988 | 0.349 | 0.337 | 0.503 |
| 7 | 5 | 0.570 | 0.628 | 0.454 | 0.505 |
| 7 | 6 | 0.965 | 0.403 | 0.355 | 0.519 |
| 7 | 7 | 0.302 | 0.713 | 0.650 | 0.413 |
| Average | 0.820 | 0.457 | 0.283 | 0.495 | |