Similarity search

Description Summary of Service Functionality:

Find similar compounds by Tanimoto similarity of hashed 1024 bit fingerprints. 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

• Example: Find compounds similar to "c1ccccc1Oc2ccccc2" with Tanimoto similarity >= 0.9
  

http://ambit.uni-plovdiv.bg:8080/ambit2/query/similarity?search=c1ccccc1Oc2ccccc2&threshold=0.9

• Example2: Find compounds similar to structure at URL http://ambit.uni-plovdiv.bg:8080/ambit2/compound/2692 (any URL, that can return content in chemical/x-mdl-sdfile format)

http://ambit.uni-plovdiv.bg:8080/ambit2/query/similarity?search=http%3A%2F%2Fambit.uni-plovdiv.bg%3A8080%2Fambit2%2Fcompound%2F2692&type=url&threshold=0.85

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/similarity