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RMSE of the final consensus models developed in this and in the previous study [29]
| Method | PATENTS set | Bergström | Bradley | OCHEM | Enamine | COMBINED |
|---|---|---|---|---|---|---|
| PATENTS + COMBINED | 36.5 ± 0.1 (33.7) | 31 ± 1 (29) | 32.2 ± 0.6 (32.2) | 37.9 ± 0.3 (33) | 36.3 ± 0.3 (31.1) | 36.8 ± 0.3 (32) |
| COMBINED | 44.6 ± 0.1 (40.9)a | 34 ± 1 (31) | 32.6 ± 0.6 (33.1) | 38 ± 0.3 (33.7) | 36.8 ± 0.3 (31.5) | 37.1 ± 0.3 (32.6) |
aThe results of the prediction of the PATENTS set using the model developed in our previous study [29]
