Try the OECD QSAR Toolbox:

http://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm

It is free and under active development.

Toxtree:

- http://toxtree.sourceforge.net/

- https://eurl-ecvam.jrc.ec.europa.eu/laboratories-research/predictive_toxicology/qsar_tools/toxtree

Hi..

You can look into the attached link

https://www.researchgate.net/post/What_is_the_best_free_software_for_QSAR_and_molecular_docking

Regards

Anu

http://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm

Thanks to everyone!

Try with QSARINS : www.qsar.it

You can try PaDEL-Descriptor program.

please go to following address:

Article PaDEL-Descriptor: An Open Source Software to Calculate Molec...

Also you can see following address:

http://www.click2drug.org/

This website introduce programs and web servers for drug design and bioinformatics.

PaDEL is a software for molecular descriptors calculation.

QSARINS is a software for MLR model development and validation, where PaDEL descriptors can be also calculated, and additional chemometric tools are implemented (PCA, MCDM):

P. Gramatica et al QSARINS: A new software for the development, analysis and validation of QSAR MLR models, J. Comput Chem (Software News and Updates), 2013, 34, 2121-2132.

In the module QSARINS-Chem several QSAR models for environmental chemicals, based on PaDEL descriptors, are available and applicable to new chemicals, verifying if the the new chemicals are into the Applicability Domain of the applied model.

Paola Gramatica et al. QSARINS-Chem: Insubria Datasets and New QSAR/QSPR Models for Environmental Pollutants in QSARINS

J. Comput Chem (Software News and Updates) 2014, 35, 1036–1044.

More information on www.qsar.it/QSARINS

Pro. Gramatica comment is right. PaDEL calculates some of dragon descriptors.

For modelling, you can use libpls toolbox, LSSVM toolbox, GAPLS code by Riccardo Leardi and so on.

libPLS : www.libpls.net

Lssvm_lab : https://www.esat.kuleuven.be/sista/lssvmlab/

PaDEL calculates several kind of descriptors, not only some DRAGON, but also several more (ETA, Fingerprint, etc)

In KNIME (www.knime.com) you will also find user-friendly nodes (RDKit, CDK, etc) to compute molecular descriptors. They also have freely available nodes for molecule handling, modeling, clustering and other machine learning/QSAR applications.