From: QPHAR: quantitative pharmacophore activity relationship: method and validation
Quantitative pharmacophores | Features baseline | Properties baseline | |
---|---|---|---|
RMSE (mean) | 0.62 | 0.95 | 0.86 |
RMSE (standard deviation) | 0.18 | 0.24 | 0.24 |
RMSE (minimum) | 0.2 | 0.34 | 0.26 |
RMSE (maximum) | 1.27 | 1.92 | 1.61 |
Samples out of domain | 0 | 244 (2.9%) | 901 (10.1%) |