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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