Table 4.
Model | Ht | Ha | A% | Y% | N | CAI |
---|---|---|---|---|---|---|
01 | 44 | 40 | 80 | 90.9 | 2.73 | 2.18 |
02 | 43 | 39 | 78 | 90.7 | 2.72 | 2.12 |
03 | 43 | 39 | 78 | 90.7 | 2.72 | 2.12 |
04 | 48 | 41 | 82 | 85.4 | 2.56 | 2.10 |
05 | 48 | 40 | 80 | 83.3 | 2.50 | 2.00 |
06 | 54 | 40 | 80 | 74.1 | 2.22 | 1.78 |
07 | 54 | 40 | 80 | 74.1 | 2.22 | 1.78 |
08 | 51 | 40 | 80 | 78.4 | 2.35 | 1.88 |
09 | 52 | 40 | 80 | 76.9 | 2.31 | 1.85 |
10 | 66 | 40 | 80 | 60.6 | 1.82 | 1.45 |
* Among them, the larger the CAI value is, the more reliable the pharmacophore model will be explained to some extent. The CAI system is mainly based on the four parameters A%, Y%, N and CAI. Ht was the total number of compounds hit by the pharmacophore model, and Ha was the number of active compounds hit by the pharmacophore model. A% indicated the hit rate of active components, Y% indicated the effective hit rate, N indicated the effective identification index, and CAI indicated the comprehensive evaluation index.