Table 7 Classification with the BCFBAF v3.00 model.
From: Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish
Training set | Observed logBCF | Validation set | Observed logBCF | External set | Observed logBCF | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
450 comp. | nB | B | vB | 103 comp. | nB | B | vB | 82 comp. | nB | B | vB | |||
Predicted logBCF | nB | 82.00 (369) | 3.33 (15) | 2.00 (9) | Predicted logBCF | nB | 81.55 (84) | 2.91 (3) | 1.94 (2) | Predicted logBCF | nB | 39.02 (32) | 12.20 (10) | 3.66 (3) |
| Â | B | 2.00 (9) | 0.67 (3) | 2.00 (9) | Â | B | 0.97 (1) | 0.97 (1) | 0.00 (0) | Â | B | 10.98 (9) | 4.88 (4) | 4.88 (4) |
| Â | vB | 2.22 (10) | 0.89 (4) | 4.89 (22) | Â | vB | 3.88 (4) | 0.97 (1) | 6.80 (7) | Â | vB | 6.10 (5) | 3.66 (3) | 14.63 (12) |