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. 2022 Aug 3;27(15):4950. doi: 10.3390/molecules27154950

Table 4.

Evaluation results of pharmacophore model *.

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.