Table 2. Distribution of compounds in training and test datasets of each test group.
Tag | ||||||||||
T 1 | 11,382 | 1,251 | 11,387 | 1,246 | 11,351 | 1,282 | 11,364 | 1,269 | 11,385 | 1,248 |
T 2 | 5,475 | 635 | 5,476 | 634 | 5,529 | 581 | 5,492 | 618 | 5,491 | 619 |
T 3 | 2,065 | 228 | 2,065 | 228 | 2,063 | 230 | 2,063 | 230 | 2,056 | 237 |
T 4 | 2,102 | 251 | 2,102 | 251 | 2,115 | 238 | 2,112 | 241 | 2,093 | 260 |
T 5 | 2,235 | 266 | 2,235 | 266 | 2,260 | 241 | 2,255 | 246 | 2,235 | 266 |
T 6 | 3,747 | 451 | 3,749 | 449 | 3,777 | 421 | 3,784 | 414 | 3,799 | 399 |
T 7 | 582 | 64 | 577 | 69 | 586 | 60 | 582 | 64 | 583 | 63 |
Total | 27,588 | 3,146 | 27,591 | 3,143 | 27,681 | 3,053 | 27,652 | 3,082 | 27,642 | 3,092 |
Tag | ||||||||||
T 1 | 11,367 | 1,266 | 11,395 | 1,238 | 11,369 | 1,264 | 11,374 | 1,259 | 11,353 | 1,280 |
T 2 | 5,489 | 621 | 5,500 | 610 | 5,492 | 618 | 5,497 | 613 | 5,506 | 604 |
T 3 | 2,075 | 218 | 2,067 | 226 | 2,070 | 223 | 2,043 | 250 | 2,070 | 223 |
T 4 | 2,123 | 230 | 2,125 | 228 | 2,135 | 218 | 2,102 | 251 | 2,133 | 220 |
T 5 | 2,244 | 257 | 2,243 | 258 | 2,236 | 265 | 2,258 | 243 | 2,234 | 267 |
T 6 | 3,762 | 436 | 3,750 | 448 | 3,772 | 426 | 3,777 | 421 | 3,755 | 443 |
T 7 | 583 | 63 | 587 | 59 | 579 | 67 | 569 | 77 | 584 | 62 |
Total | 27,643 | 3,091 | 27,667 | 3,067 | 27,653 | 3,081 | 27,620 | 3,114 | 27,635 | 3,099 |