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Table 2 Performance of our models on the test set using the reference set II (Group II)

From: Estimation of acute oral toxicity in rat using local lazy learning

Models “Set_3874” “Set_2896” “Set_2583” “Set_743”
   R2 MAE R2 MAE R2 MAE R2 MAE
LLR ECFP4 0.513 0.495 0.623 0.439 0.657 0.415 0.867 0.222
FCFP4 0.481 0.513 0.604 0.457 0.640 0.435 0.818 0.299
MACCS 0.476 0.511 0.568 0.458 0.610 0.431 0.833 0.282
DES 0.459 0.525 0.594 0.451 0.633 0.428 0.824 0.259
LLR_consensus 0.608 0.420 0.711 0.371 0.743 0.354 0.908 0.186
SA ECFP4 0.519 0.498 0.610 0.468 0.634 0.457 0.731 0.400
FCFP4 0.492 0.513 0.593 0.481 0.619 0.470 0.716 0.438
MACCS 0.484 0.517 0.573 0.485 0.608 0.470 0.745 0.397
DES 0.472 0.522 0.576 0.477 0.610 0.462 0.745 0.361
SA_consensus 0.577 0.452 0.664 0.424 0.690 0.416 0.779 0.365
SR ECFP4 0.551 0.475 0.650 0.438 0.676 0.424 0.834 0.319
FCFP4 0.520 0.495 0.627 0.458 0.656 0.444 0.772 0.391
MACCS 0.494 0.510 0.585 0.476 0.621 0.460 0.765 0.381
DES 0.473 0.521 0.576 0.477 0.610 0.461 0.747 0.360
SR_consensus 0.593 0.442 0.683 0.411 0.710 0.402 0.825 0.330
GP ECFP4 0.587 0.436 0.684 0.391 0.709 0.375 0.928 0.161
FCFP4 0.547 0.462 0.659 0.413 0.694 0.394 0.844 0.278
MACCS 0.489 0.493 0.585 0.451 0.630 0.428 0.845 0.292
DES 0.501 0.494 0.610 0.445 0.647 0.426 0.817 0.297
GP_consensus 0.623 0.413 0.717 0.374 0.744 0.362 0.916 0.213
Final_consensus 0.619 0.422 0.712 0.385 0.740 0.374 0.885 0.265