Table 2 Pharmacophore models generated by GALAHAD
From: Virtual screening and experimental validation of novel histone deacetylase inhibitors
Name | SPECIFICITY | N_NITS | ENERGY | STERICS | HBOND |
|---|---|---|---|---|---|
MODEL_001 | 2.762 | 6 | 59.04 | 1807.4 | 255.3 |
MODEL_002 | 2.321 | 7 | 44.53 | 1724.8 | 240.0 |
MODEL_005 | 3.842 | 6 | 42.64 | 1585.6 | 241.8 |
MODEL_006 | 5.225 | 6 | 55.97 | 1822.2 | 239.9 |
MODEL_010 | 2.208 | 7 | 48.49 | 1714.7 | 243.7 |
MODEL_021 | 4.220 | 6 | 42.25 | 1551.0 | 224.6 |
MODEL_030 | 2.821 | 6 | 44.05 | 1610.4 | 231.5 |
MODEL_035 | 1.094 | 6 | 40.95 | 1630.8 | 235.7 |
MODEL_037 | 1.651 | 6 | 44.93 | 1714.6 | 233.4 |
MODEL_041 | 2.545 | 6 | 39.68 | 1521.0 | 202.5 |