Table 1.
Enrichments of the 43 5-HT2A ligands among a background of 774 “DUD” style decoy molecules by docking against ketanserin and cyproheptadine induced-fit models. EF1 (enrichment factor at 1% of the ranked database), and EF5 (enrichment factor at 5% of the database) present the early enrichment performance.
| Ket-models | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 |
| EF1 | 2.3 | 0.0 | 0.0 | 0.0 | 0.0 | 4.6 | 4.6 | 0.0 | 2.3 | 0.0 |
| EF5 | 0.5 | 0.5 | 0.5 | 0.0 | 0.0 | 1.4 | 2.3 | 0.9 | 0.9 | 0.9 |
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| Cyp-models | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 |
| EF1 | 2.3 | 0.0 | 4.6 | 4.6 | 1.0 | 2.3 | 0.0 | 2.3 | 4.6 | 2.3 |
| EF5 | 1.4 | 0.9 | 1.9 | 3.3 | 1.0 | 2.3 | 2.3 | 3.3 | 2.3 | 1.9 |