QSARa SF project

The QSAR Project

QSAR is a project that aims to build a GUI that enables people to build quantitative structure activity (or property) relationship models. It will use parts of Chemistry Development Kit, Chemical Markup Language, JChemPaint, Jmol, JOELib, Octet, Weka, R and likely many other projects.

At this moment the website is being setup and it will contain information about who participate in this project, what the project goals are, and all other relevant information.

Project Status

At this moment this project is being set up. On 14 April 2004 the first discussion was started on setting up such a project. Several people have showed interest from several different research groups troughout the world. The next two months will be critical for this project, but it is believed that in reasonable time existing tools can be combined to get a working draft.

Most work is currently payed to setting up the project infrastructure. Documentation and formalized definition of interface is the next step. The goals are briefly described on this page. A live coverage of what is done on this project can be monitored on the CIA bot commit messages statistics for qsar-website.

The reader is welcomed to keep an eye on this webpage or even more actively participating in this exciting project by joining the mailing list for the ongoing discussions.

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