Table 2 Significantly enriched scaffolds in the active dataset
From: Predictive modeling of anti-malarial molecules inhibiting apicoplast formation
Scaffold No. | Structure | Actives | Inactives | Chi-square | p-value | Enrichment Factor |
|---|---|---|---|---|---|---|
Scaffold 1 |
| 21 | 4 | 8.52 | 3.51E-03 | 46.39 |
Scaffold 2 |
| 4 | 1 | 26.70 | 2.37E-07 | 35.34 |
Scaffold 3 |
| 25 | 17 | 23.61 | 1.18E-06 | 12.99 |
Scaffold 4 |
| 7 | 7 | 12.78 | 3.49E-04 | 8.83 |
Scaffold 5 |
| 2 | 2 | 11.75 | 6.07E-04 | 8.83 |
Scaffold 6 |
| 2 | 2 | 6.95 | 8.38E-03 | 8.83 |
Scaffold 7 |
| 95 | 166 | 196.90 | 9.88E-45 | 5.05 |
Scaffold 8 |
| 6 | 11 | 17.67 | 2.62E-05 | 4.82 |
Scaffold 9 |
| 43 | 80 | 82.84 | 8.89E-20 | 4.74 |
Scaffold 10 |
| 24 | 54 | 36.26 | 1.72E-09 | 3.92 |
Scaffold 11 |
| 4 | 9 | 6.04 | 1.40E-02 | 3.92 |
Scaffold 12 |
| 22 | 54 | 29.36 | 5.99E-08 | 3.60 |
Scaffold 13 |
| 201 | 570 | 241.30 | 1.58E-48 | 3.11 |
Scaffold 14 |
| 10 | 29 | 10.48 | 1.20E-03 | 3.04 |
Scaffold 15 |
| 134 | 392 | 135.32 | 2.81E-31 | 3.02 |
Scaffold 16 |
| 9 | 31 | 6.66 | 9.83E-03 | 2.56 |
Scaffold 17 |
| 48 | 181 | 29.25 | 6.36E-08 | 2.34 |
Scaffold 18 |
| 126 | 488 | 72.29 | 1.85E-17 | 2.28 |
Scaffold 19 |
| 41 | 178 | 17.57 | 2.77E-05 | 2.03 |
Scaffold 20 |
| 164 | 722 | 67.82 | 1.79E-16 | 2.00 |
