Table 2 The values of three relevant molecular descriptors used in the best QSAR model
No | pk i | SpMin6_Bhm | MLogP | SpMax1_Bhi | No | pk i | SpMin6_Bhm | MLogP | SpMax1_Bhi |
|---|---|---|---|---|---|---|---|---|---|
1 | 8.769 | 1.276 | 2.67 | 4.187 | 18 | 8.522 | 1.352 | 2.890 | 4.225 |
2 | 5.591 | 0.707 | 2.01 | 4.135 | 19 | 6.943 | 1.228 | 2.889 | 4.172 |
3* | 7.259 | 1.276 | 2.889 | 4.188 | 20* | 7.494 | 1.372 | 3.330 | 4.190 |
4 | 8.677 | 1.361 | 2.78 | 4.188 | 21* | 8.080 | 1.372 | 3 | 4.191 |
5 | 8.522 | 1.266 | 2.45 | 4.187 | 22 | 6.600 | 1.364 | 3.11 | 4.190 |
6 | 8.795 | 1.361 | 2.56 | 4.188 | 23* | 6.939 | 1.350 | 3.329 | 4.194 |
7 | 9.284 | 1.349 | 2.449 | 4.188 | 24 | 9.619 | 1.334 | 2.449 | 4.190 |
8 | 8.853 | 1.286 | 2.56 | 4.189 | 25 | 9.075 | 1.340 | 2.89 | 4.190 |
9 | 6.823 | 1.015 | 2.23 | 4.186 | 26 | 8.920 | 1.372 | 2.89 | 4.190 |
10 | 8.699 | 1.295 | 2.56 | 4.190 | 27 | 8.657 | 1.341 | 2.78 | 4.190 |
11 | 7.508 | 1.015 | 2.01 | 4.188 | 28 | 9.259 | 1.341 | 3 | 4.190 |
12 | 8.677 | 1.278 | 2.89 | 4.194 | 29* | 7.161 | 1.350 | 3.11 | 4.190 |
13 | 7.832 | 1.276 | 2.78 | 4.187 | 30* | 8.886 | 1.338 | 2.78 | 4.191 |
14 | 8.568 | 1.361 | 2.78 | 4.188 | 31 | 9.346 | 1.349 | 2.78 | 4.192 |
15 | 8.958 | 1.361 | 2.78 | 4.188 | 32 | 8.795 | 1.341 | 2.78 | 4.192 |
16 | 7.284 | 1.360 | 3.11 | 4.226 | 33 | 7.267 | 1.249 | 2.45 | 4.188 |
17 | 8.522 | 1.276 | 2.67 | 4.187 | 34* | 8.920 | 1.335 | 2.78 | 4.195 |