Application Programming Interface - API


Below you find some information about exporting data sets for usage in other programs like KNIME or embedding in other webservices. While these are human readable outputs they are not recommended to be used by humans directly. Firefox has an inbuild good viewer option to check the contents.


In order for usage with other resources, we enabled the export of data in java script object notation JSON using URL switches


So far we opened up three special services to also provide JSON output instead of just the regular view. Additionally we have some direct table exports implemented without a specialized view, see this page if you want to use these.
Basic usage: the URL of the regular call to the page has to be modified, to contain the .json at the end of the base URL of the page you try to access to trigger the JSON formating of the requested output.

Our full set can thus be accessed via
regular https://candactcftr.ams.med.uni-goettingen.de/Compound/showFullSet for the online listing
and
JSON https://candactcftr.ams.med.uni-goettingen.de/Compound/showFullSet.json for the JSON encoded data set export - as this is a big data set it takes a while to load.
faster are
search by name e.g. for curcumin
regular https://candactcftr.ams.med.uni-goettingen.de/Compound/searchCompoundsBySynonym?Synonym=%22curcumin%22
and
JSON https://candactcftr.ams.med.uni-goettingen.de/Compound/searchCompoundsBySynonym.json?Synonym=%22curcumin%22
and
search by smiles e.g. for C(C(%3DO)OC)1%3DC(Br)C(Cl)%3DC(C(%3DO)OC)C(Cl)%3DC1Cl
regular https://candactcftr.ams.med.uni-goettingen.de/Compound/searchCompoundsBySMILESShowSimilarCompounds?smiles=%22C(C(%3DO)OC)1%3DC(Br)C(Cl)%3DC(C(%3DO)OC)C(Cl)%3DC1Cl%22
and
JSON https://candactcftr.ams.med.uni-goettingen.de/Compound/searchCompoundsBySMILESShowSimilarCompounds.json?smiles=%22C(C(%3DO)OC)1%3DC(Br)C(Cl)%3DC(C(%3DO)OC)C(Cl)%3DC1Cl%22
and

accessing individual compound pages as
regular https://candactcftr.ams.med.uni-goettingen.de/Compound/cycleCompounds?id=3
and
JSON https://candactcftr.ams.med.uni-goettingen.de/Compound/cycleCompounds.json?id=3

Beware that the user might has to merge the individual objects by their IDs in order to recreate the connected data set, e.g. attach if wanted the individual authors to the puplications; compounds with added biological descriptors.

SQL dump

This regularly updated database dump can be used to locally recreate our database. It contains the creation statements for the required tables as well as the insert statements to poulate the empty database scheme. You can find the export here. here. If you are interested in how to setup a similar server, e.g. for local use, like this one here you can find more details at our gitlab resource including some wiki pages detailing the installation process. If you run into problems feel free to contact us.