Hypothesesa | Pharmacophoric features in generated hypotheses | RMS deviation | Cost Values | Residual costd | |||
---|---|---|---|---|---|---|---|
 |  |  | Training set (R)b | Error | Weight | Totalc |  |
1 | HBD, 4×HBic | 1.411 | 0.851 | 270.24 | 1.170 | 289.972 | 142.57 |
2 | HBD, 4×HBic | 1.416 | 0.850 | 270.73 | 1.338 | 290.628 | 141.91 |
3 | HBD, 4×HBic | 1.419 | 0.849 | 270.97 | 1.144 | 290.681 | 141.86 |
4 | HBD, 4×HBic | 1.445 | 0.843 | 273.31 | 1.419 | 293.293 | 139.25 |
5 | HBD, 3×HBic, RingArom | 1.469 | 0.836 | 275.44 | 1.243 | 295.242 | 137.30 |
6 | HBD, 4×HBic | 1.474 | 0.834 | 275.93 | 1.145 | 295.636 | 136.91 |
7 | HBD, 4×HBic | 1.484 | 0.834 | 276.83 | 1.219 | 296.614 | 135.93 |
8 | HBD, 4×HBic | 1.510 | 0.827 | 279.20 | 1.163 | 298.925 | 133.62 |
9 | HBD, 4×HBic | 1.514 | 0.826 | 279.61 | 1.262 | 299.432 | 133.11 |
10 | HBD, 4×HBic | 1.520 | 0.825 | 280.21 | 1.127 | 299.899 | 132.64 |