Table 2: An Example of the Multi-Conformer QSAR Table
|
|
HH3.0 |
HH4.1 |
HH2.5 |
DH2.1 |
DH5.2 |
AH9.0 |
AH2.2 |
AH4.5 |
.... |
|
Conf-1 |
7 |
7 |
10 |
9 |
10 |
11 |
15 |
13 |
.... |
|
Conf-2 |
9 |
6 |
10 |
9 |
10 |
6 |
15 |
13 |
.... |
| Mol -1 |
Conf-3 |
7 |
7 |
9 |
7 |
9 |
9 |
15 |
14 |
.... |
|
Conf-4 |
10 |
6 |
9 |
8 |
9 |
8 |
15 |
14 |
.... |
| Act -1 |
Conf-5 |
12 |
9 |
17 |
9 |
17 |
11 |
19 |
14 |
.... |
|
Conf-6 |
15 |
7 |
17 |
9 |
15 |
7 |
17 |
15 |
.... |
|
Conf-7 |
9 |
7 |
15 |
5 |
13 |
11 |
17 |
14 |
.... |
|
Conf-1 |
14 |
10 |
12 |
8 |
11 |
16 |
17 |
7 |
.... |
|
Conf-2 |
14 |
9 |
12 |
8 |
11 |
12 |
17 |
8 |
.... |
| Mol -2 |
Conf-3 |
13 |
10 |
11 |
6 |
10 |
13 |
17 |
8 |
.... |
|
Conf-4 |
12 |
9 |
12 |
8 |
11 |
18 |
18 |
9 |
.... |
| Act -2 |
Conf-5 |
15 |
9 |
11 |
7 |
10 |
11 |
17 |
8 |
.... |
|
Conf-6 |
15 |
8 |
12 |
8 |
11 |
12 |
18 |
8 |
.... |
|
Conf-7 |
12 |
9 |
11 |
6 |
10 |
11 |
18 |
9 |
.... |
|
Conf-1 |
10 |
10 |
10 |
12 |
10 |
22 |
17 |
9 |
.... |
|
Conf-2 |
13 |
10 |
11 |
12 |
11 |
22 |
17 |
7 |
.... |
| Mol -3 |
Conf-3 |
13 |
9 |
10 |
11 |
10 |
17 |
17 |
8 |
.... |
|
Conf-4 |
13 |
9 |
10 |
11 |
10 |
14 |
17 |
9 |
.... |
| Act -3 |
Conf-5 |
11 |
10 |
9 |
9 |
9 |
15 |
17 |
8 |
.... |
|
Conf-6 |
12 |
10 |
9 |
8 |
9 |
16 |
17 |
8 |
.... |
|
Conf-7 |
14 |
9 |
9 |
10 |
9 |
18 |
17 |
8 |
.... |