Table 6 Predictions of quantitative model training set
From: QPHAR: quantitative pharmacophore activity relationship: method and validation
Index | pIC50 exp | pIC50 pred | Index | pIC50 exp | pIC50 pred |
|---|---|---|---|---|---|
16 | 7.82 | 7.48 | 46 | 8.29 | 7.76 |
17 | 7.57 | 7.25 | 50 | 5.41 | 6.38 |
23 | 6.09 | 5.98 | 51 | 6.23 | 6.46 |
29 | 7.70 | 7.53 | 56 | 6.07 | 6.19 |
31 | 8.33 | 7.46 | 57 | 6.00 | 6.23 |
33 | 8.00 | 7.71 | 58 | 6.15 | 6.47 |
36 | 4.51 | 6.78 | 60 | 8.40 | 8.25 |
39 | 5.21 | 6.10 | 73 | 5.59 | 6.65 |
40 | 8.43 | 8.10 | 74 | 8.70 | 8.42 |
41 | 8.42 | 8.34 | 75 | 6.36 | 6.22 |