Cheminformatics in JavaScript: JChemHub

May 17, 2010

Longtime readers of this blog know that I think JavaScript for Cheminformatics is an idea with a lot of potential. Recently, I ran across JChemHub, an open source toolkit for developing client-side cheminformatics applications.

JChemHub is written from scratch in JavaScript using the Google Closure library. Although documentation on the project is sparse, I was able to get started by following the instructions in the README file.

One tip: the sample HTML files are contained within the jchemhub/views directory. For example, to run the reaction display demo, open the file jchemhub/view/demo.html.

As I've said before, there's a big difference between building cheminformatics tools and building something as complicated as a working structure editor for Web applications. Still, JChemHub is worth checking out; it won't solve your structure editor or display problems today, but tools like it may solve them in the future.