Many softwares are there.............sysstat is a gud for model prepration

and for descriptor calculation PADEL is free descriptor calculator available on internet with more than 1000 of descriptors

Sybyl

Moe

In order to answer this question it needs to be more specific. There are very simple QSAR models that relate for instance only logKow to activity, but also complicated models that involve the 3D structure of molecules and describe the binding interaction with a specific receptor. For the simple models almost any statistical software package can be used, as for the latter you would require more advanced models...

While more of a docking program, AutoDock Vina from Scripps is a great tool to determine binding affinities. It is free and available from:

http://vina.scripps.edu/

For other computed values (e.g., cLogP) I make use of Molinspiration. Also free and available from:

http://www.molinspiration.com/

Hope that helps.

Dear Arvind Negi,

You might try with Open3DQSAR (freeware):

http://open3dqsar.sourceforge.net/

Tutorial: http://open3dqsar.sourceforge.net/?Tutorials

Good luck!

Regards