Table 8.
Comparison of r, SD and ME from LISA and other scoring functions to the work of Wang et al.
| Scoring Functions | r | SD | ME |
|---|---|---|---|
| LISA | 0.610 | 1.92 | 1.47 |
| X-Score::HPScore | 0.514 | 1.89 | 1.47 |
| X-Score::HMScore | 0.566 | 1.82 | 1.42 |
| X-Score::HSScore | 0.506 | 1.90 | 1.48 |
| DrugScore::Pair | 0.473 | 1.94 | 1.51 |
| DrugScore::Surf | 0.463 | 1.95 | 1.53 |
| DrugScore::Pair/Surf | 0.476 | 1.94 | 1.50 |
| Sybyl::D-Score | 0.322 | 2.09 | 1.67 |
| Sybyl::PMF-Score | 0.147 | 2.16 | 1.74 |
| Sybyl::G-Score | 0.443 | 1.98 | 1.56 |
| Sybyl::ChemScore | 0.499 | 1.91 | 1.50 |
| Sybyl::F-Score | 0.141 | 2.19 | 1.77 |
| Cerius2::LigScore | 0.406 | 2.00 | 1.57 |
| Cerius2::PLP1 | 0.458 | 1.96 | 1.52 |
| Cerius2::PLP2 | 0.455 | 1.96 | 1.53 |
| Cerius2::PMF | 0.253 | 2.13 | 1.71 |
| Cerius2::LUDI1 | 0.334 | 2.08 | 1.66 |
| Cerius2::LUDI2 | 0.379 | 2.04 | 1.62 |
| Cerius2::LUDI3 | 0.331 | 2.08 | 1.67 |
| GOLD::GoldScore | 0.285 | 2.16 | 1.72 |
| GOLD::GoldScore_opt | 0.365 | 2.06 | 1.63 |
| GOLD::ChemScore | 0.423 | 2.00 | 1.56 |
| GOLD::ChemScore_opt | 0.449 | 1.96 | 1.52 |
| HINT | 0.330 | 2.08 | 1.65 |