Compounds | Structures | Experimental pIC50 | Predicted pIC50 | Residuals |
---|---|---|---|---|
1X |
| 2.76 | 2.53 | 0.23 |
2Y |
| 3.00 | 3.01 | − 0.01 |
3Y |
| 3.29 | 3.25 | 0.04 |
4Y |
| 3.05 | 3.21 | − 0.15 |
5Y |
| 3.46 | 3.41 | 0.05 |
6Y |
| 3.33 | 3.32 | 0.01 |
7Y |
| 3.36 | 3.54 | − 0.19 |
8X |
| 3.70 | 3.67 | 0.03 |
9Y |
| 3.82 | 3.87 | − 0.04 |
10Y |
| 4.07 | 4.02 | 0.05 |
11Y |
| 3.02 | 3.06 | − 0.04 |
12X |
| 2.40 | 2.34 | 0.05 |
13X |
| 2.52 | 2.56 | − 0.04 |
14X |
| 2.78 | 2.68 | 0.10 |
15Y |
| 1.72 | 1.99 | − 0.27 |
16Y |
| 3.10 | 3.00 | 0.10 |
17Y |
| 3.72 | 3.63 | 0.10 |
18Y |
| 2.24 | 2.12 | 0.12 |
19Y |
| 2.60 | 2.62 | − 0.02 |
20X |
| 2.65 | 2.30 | 0.35 |
21X |
| 2.22 | 1.94 | 0.28 |
22Y |
| 2.76 | 2.60 | 0.15 |
23X |
| 2.45 | 2.48 | − 0.03 |
24X |
| 2.62 | 2.71 | − 0.09 |
25Y |
| 2.63 | 2.70 | − 0.07 |
26Y |
| 3.22 | 3.20 | 0.01 |
27X |
| 2.92 | 3.09 | − 0.18 |
28Y |
| 2.12 | 2.04 | 0.08 |
29Y |
| 1.72 | 1.66 | 0.06 |
30Y |
| 2.90 | 3.05 | -0.15 |
31Y |
| 3.50 | 3.32 | 0.17 |
Reference drug (Acarbose) | 6.35 | – | – |