At some point it is likely that the QSAR data needs to be stored in
some location. This might be a SDF file which is often used, or a
database of some kind (relation or e.g. XML). A general interface
should be defined that allows addition, deletion and retrieval from
such a data source.
Table 1. Available DataBases
Name | OpenSource? | Java? |
---|
MySQL | yes | yes (e.g. via CDK or JOELib) |
SDF | ? | yes (e.g. via CDK or JOELib) |
Xindice | yes | yes |