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OPSIN

OPSIN converts IUPAC compound names to semantic chemical information including a connection table. It was originally developed as part of OSCAR and has been developed further under the PhD of Daniel Lowe as part of the semantic patent analysis project.  It is available as a Java software library for inclusion in other applications and as a web service for distributed applications or as a demonstration.

Latest Version: 
1.2.0
Source
Source location: 
https://bitbucket.org/dan2097/opsin/
Source licence: 

Artistic License 2.0

Build requirements: 

Checkout requires Mercurial (http://mercurial.selenic.com/)

Build requires Maven v2.1 or higher (http://maven.apache.org/)

Binaries
Binaries location: 
https://bitbucket.org/dan2097/opsin/downloads
Binaries licence: 

Artistic License 2.0

Documentation: 

Web service documentation and some general documentation is available on:

http://opsin.ch.cam.ac.uk/

Javadoc documentation for using OPSIN as a library is available here.

Example data: 

Any valid IUPAC name can be used, e.g. 2,4,6-trinitrotoluene

Demonstration: 
http://opsin.ch.cam.ac.uk/
Web service
Web service location: 
http://opsin.ch.cam.ac.uk/
Web service terms and conditions of use: 

The web service and demonstrator are provided on a gratis basis without any warranty, and should not be relied on in the long term. If you would like a service agreement for a reliable, robust OPSIN web service, please contact us.

Attribution: 

If you found OPSIN useful please cite our paper: http://pubs.acs.org/doi/full/10.1021/ci100384d