Table 2.
Target | Conformer | CHEMPLP | GoldScore | ChemScore | ASP | Consensus Z-score | ||||
---|---|---|---|---|---|---|---|---|---|---|
Score | Z-score | Score | Z-score | Score | Z-score | Score | Z-score | |||
L-14a-D | 1 | 57.54 | 2.50 | 27.21 | 3.21 | 22.96 | 0.38 | 29.54 | 1.07 | 1.79 |
2 | 57.48 | 2.48 | 16.56 | -0.65 | 27.95 | 2.19 | 30.58 | 1.43 | 1.36 | |
| ||||||||||
C-8-SI | 1 | 41.59 | 2.47 | 19.52 | 1.10 | 17.84 | 1.70 | 23.81 | 0.53 | 1.45 |
2 | 39.73 | 1.63 | 19.58 | 1.13 | 16.54 | 1.00 | 24.04 | 0.66 | 1.11 | |
3 | 35.42 | -0.31 | 21.05 | 1.76 | 16.46 | 0.96 | 26.24 | 1.90 | 1.08 | |
| ||||||||||
TS | 1 | 39.90 | 3.70 | 35.31 | 3.59 | 9.06 | 0.06 | 21.88 | 0.82 | 2.04 |
2 | 34.46 | 1.46 | 22.10 | 1.01 | 11.61 | 2.14 | 22.60 | 1.05 | 1.41 | |
| ||||||||||
PO | 1 | 55.61 | 2.02 | 35.42 | 2.55 | 20.19 | 1.47 | 38.76 | 1.34 | 1.85 |
2 | 55.82 | 2.09 | 30.74 | 1.22 | 18.19 | 0.66 | 39.43 | 1.51 | 1.37 | |
| ||||||||||
QR | 1 | 36.26 | 0.33 | 25.83 | 1.60 | 15.48 | 0.15 | 21.28 | 2.56 | 1.16 |
2 | 36.72 | 0.49 | 24.02 | 1.25 | 20.01 | 2.69 | 16.54 | -0.10 | 1.08 | |
| ||||||||||
ST-PK | 1 | 57.16 | 3.64 | 31.30 | 3.12 | 22.65 | 2.77 | 26.88 | 2.59 | 3.03 |
| ||||||||||
CA | 1 | 45.04 | 2.71 | 32.49 | 0.34 | 14.39 | 0.32 | 17.80 | 0.28 | 0.91 |