Table 1.
CDK2 | FXa | NA | RNAse | TK | All | |
3D sup. | 0.61 | 0.58 | 0.73 | 0.76 | 0.73 | 0.71 |
Enrichment | ||||||
1% | 0.28 | 0.20 | 0.68 | 1.0 | 0.43 | 0.52 |
3% | 0.40 | 0.27 | 0.80 | 1.0 | 0.55 | 0.60 |
5% | 0.44 | 0.30 | 0.82 | 1.0 | 0.63 | 0.64 |
10% | 0.49 | 0.42 | 0.89 | 1.0 | 0.73 | 0.71 |
For 5 families of active compounds, we present the LigCSRre performance reached for 3D superimposability and for enrichment at various thresholds.