Chemo-Informatics: Contradictions DB: Solubility Parameter
Solubility Parameter [(cal/g-mol)0.5]
For Solubility Parameter case I want to expect the error within 0.5, so I put several compounds that does not meet the error range.
The carboxylic acid have large error.
Structure |
DB-A |
DB-B |
DB-C |
|
10.1 |
8.97 |
9.78 |
|
16.1 |
14.9 |
15.24 |
|
14.6 |
16.84 |
17.15 |
|
15.2 |
13.93 |
11.67 |
|
9.9 |
9.5 |
13.23 |
|
12.6 |
14.42 |
14.76 |
|
13.6 |
12.64 |
|
|
11.2 |
9.82 |
10.17 |
|
10.5 |
9.9 |
12.51 |
|
10.3 |
11.31 |
12.08 |
|
14.7 |
10.11 |
10.46 |
|
11 |
13.32 |
|
|
9.8 |
11.46 |
12.31 |
|
10.7 |
13.28 |
|
|
8 |
8.04 |
6.92 |
|
5.5 |
7.38 |
|
|
5.8 |
8.44 |
|
|
5.2 |
6.44 |
|
|
6.6 |
7.83 |
|
|
7.0 |
8.49 |
|
