Table 1. Overall GOLD score and 4 component terms for the calibration set, selected hits and two lead compounds.
Compound | GOLD Score | Smetal | Slipo | DEclash |
Calibration Set | ||||
Kojic Acid | 29.51 | 2.99 | 64.93 | 4.89 |
Glabridin | 34.34 | 1.97 | 171.41 | 2.77 |
Aleosin | 25.10 | 1.90 | 172.96 | 8.16 |
4-hydroxy chalcone | 32.20 | 2.00 | 143.70 | 1.89 |
Hydroxy quinone | 26.62 | 1.97 | 85.39 | 3.80 |
Hydroxy stilbene | 33.97 | 1.97 | 147.94 | 2.73 |
Selected Hits | ||||
Cmpd1 | 36.27 | 2.99 | 166.03 | 1.91 |
Cmpd2 | 31.92 | 1.00 | 123.20 | 2.40 |
Cmpd3 | 41.70 | 3.22 | 111.28 | 1.95 |
Cmpd4 | 29.18 | 2.99 | 95.14 | 1.98 |
Cmpd5 | 33.01 | 3.94 | 84.83 | 1.95 |
Lead Compounds | ||||
Lead1 | 42.39 | 2.99 | 219.95 | 4.35 |
Lead2 | 37.23 | 2.99 | 170.15 | 2.43 |