Table 8.
Statistical measures of prediction performances obtained on SC-2 test sets with ANN using alternative descriptors for ALOGP.
100-Compound Test Set 1 | 32-Compound Test Set 2 | ||||||
---|---|---|---|---|---|---|---|
R 2 | RMSE | Bias | % ± 0.5 Log | R 2 | RMSE | Bias | % ± 0.5 Log |
0.15 | 1.06 | 0.3 | 38 | 0.154 | 1.44 | 0.55 | 13 |