Find­ing your path through net­work complexity

Link Chem­i­cal Libraries to Met­Ex­plore

With the new ver­sion of our web ser­vice, you can now cre­ate a links between chem­i­cal data­bases and MetExplore.

This ser­vice is based on InChI or InChIKey com­par­isons between the Chem­i­cal library and the net­works avail­able in our data­bases. It can be used to com­pute organ­ism spe­cific cov­er­age of the library on pub­licly avail­able genome wide meta­bolic recon­struc­tions such as the “Human metab­o­lism global recon­struc­tion” Recon2 (Thiele I. et al, 2013).

  • How to Use this Service:

In order to use this service, the chem­i­cal data­base you wish to use needs to imple­ment it’s own InChI or InChIKey retrieval Web-​Service. This web ser­vice needs to return a sim­ple JSON array of InChIs (or InChIKeys) you wish to map onto Met­Ex­plore. Here is an exam­ple of JSON the InChI web ser­vice should generate :


Once this web­ser­vice is oper­a­tional, you can use it as a para­me­ter of the Met­Ex­plore web ser­vice as follow:{Name_Of_Mapping}&wsurl={URL_of_the_InChI_webservice}&email={An_Email_address}

if you wish to use the InChIKey map­ping use the following:{Name_Of_Mapping}&wsurl={URL_of_the_InChiKey_webservice}&email={An_Email_address}

This will launch a global map­ping using the web­ser­vice you pro­vide as a para­me­ter. It will send an email to the pro­vided email address con­tain­ing a link to our web­ser­vice to retrieve the map­ping result. The link will be as follow:{Name_Of_Mapping}{inchikey}

The out­put of this method will be a JSON string con­tain­ing infor­ma­tion on the map­ping for each biosource.

Fur­ther details on the result file are avail­able here