OPSIN is a library for converting chemical names, especially organic chemical names, into structures. OPSIN can output to CML (Chemical Markup Language), SMILES or to InChI.
You can grab the latest released version of OPSIN in jar form from bitbucket. OPSIN is open source under the artistic license 2.0. To see or contribute to the codebase please go to bitbucket.
OPSIN uses MAVEN for dependency management, hence the easiest way to depend on OPSIN is by adding OPSIN to your pom.xml. See OPSIN's documentation for more information. Released versions of OPSIN are available from here. SNAPSHOT versions are available from here.
OPSIN is available as a web service for demonstration purposes and for light batch processing here.
If you use OPSIN to produce results for publication, then it would be great if you could cite us:
Chemical Name to Structure: OPSIN, an Open Source Solution Daniel M. Lowe, Peter T. Corbett, Peter Murray-Rust, Robert C. Glen Journal of Chemical Information and Modeling 2011 51 (3), 739-753
Recent performance improvements have been made possible with the use of the excellent YourKit profiling tool.
YourKit is kindly supporting open source projects with its full-featured Java Profiler. YourKit, LLC is the creator of innovative and intelligent tools for profiling Java and .NET applications. Take a look at YourKit's leading software products: YourKit Java Profiler and YourKit .NET Profiler.
