Substructure search

Description Summary of Service Functionality:

Find compounds, containing SMARTS specified substructure. Results are returned as a Dataset, several different representations can be requested by Accept: header (RDF, SDF, ARFF, SMILES, CSV).

Location:

Guidance:

http://ambit.uni-plovdiv.bg:8080/ambit2/help

• Example1: Find compounds,containing substructure  "FC(F)(@C)@C"
  

• Example2: Find compounds,containing substructure, as specified by the compound at URL http://ambit.uni-plovdiv.bg:8080/ambit2/compound/2706 (any URL, that can return content in chemical/x-mdl-sdfile format)

http://ambit.uni-plovdiv.bg:8080/ambit2/query/smarts?search=http%3A%2F%2Fambit.uni-plovdiv.bg%3A8080%2Fambit2%2Fcompound%2F2706&type=url

Contact:

jeliazkova.nina-at-gmail-dot-com

Date:

2009/12/21

Version:

test

Bug Reporting:

https://sourceforge.net/tracker/?group_id=191756

Source Code:

https://ambit.svn.sourceforge.net/svnroot/ambit/trunk/ambit2-all/ambit2-www/src/main/java/ambit2/rest/query