Hi Mahadev,

Go through the website http://www.qsartoolbox.org/. You might find it helpful for you.

Cheers!

You may also got QSAR based method from following site

http://crdd.osdd.net/oscadd/

http://crdd.osdd.net/oscadd/

'click2drug' website also provide some basic webservices

http://www.click2drug.org/index.html#ADME Toxicity 

You can try ChemBench developed by Tropsha lab at UNC (https://chembench.mml.unc.edu/).

ochem.eu

Hi Mahadev,

There are several QSAR tools available. In addition to previously mentioned ChemBench and OCHEM, there are also QSARINS from the Gramatica group.

http://onlinelibrary.wiley.com/doi/10.1002/jcc.23361/abstract

Also, AutoWeka:

http://link.springer.com/protocol/10.1007/978-1-4939-2239-0_8

Also, if you are into scripting, Bioclipse is also a good choice as it also supports the QSAR-ML markup language:

http://www.biomedcentral.com/1471-2105/8/59

The Toropov group also have a SMILES-based QSAR tool called CORAL:

http://www.insilico.eu/coral/

You may also want to have a look at http://www.vcclab.org/ as there are several tools you may use in your QSAR project such as computing descriptors with E-DRAGON, reduce redundant variables with UFS, as well as build QSAR model with PLS or ASNN.

If an academic (with a fix position) or a researcher in Res Center wish a free licence of QSARINS, he/she could ask me in my web: http://www.qsar.it, answering to some questions to understand your experience in QSAR modeling.

Regards Paola Gramatica

thanks for your suggestions.

Please which program used for determination the structure activity relationship (SAR ) for pharmaceutical compounds

Many Thanks

Have a look at RCMD (Rome Center for Molecular Design). The center developed by Prof Rino Ragno is easy to use and normally free for academics.

Python language (scikit-learn + rdkit + scikit-optimize + keras + tensorflow)

Alvascience provides free tools for academia, alvaMolecule and alvaRunner. alvaDesc and alvaModel are provided at a special price to foster and support academic research. More info here: https://bit.ly/34RHqTZ

You might also use the free server Activity Landscape Plotter, described here: Article Activity Landscape Plotter: A Web-Based Application for the ...

Really interested in learning QSAR methods. Please can anyone direct me to a good site. Thanks

I think "keras + tensorflow" in one of the previous answers is completely overkill for the problem at hand.

You can try QSARINS Article QSARINS: a new software for the development, analysis, and v...

Autodock/ADT (MGLtools) and LQTAgrid (4D-QSAR)

you can use statistical programs like SPSS , Minitab

Hi Mahadev

this QSAR models can be used to predict the property of a chemical compound you can find in link:

http://vega.marionegri.it/wordpress/resources/qsar-in-silico-tools

Hi Mahadev

EasyQSAR is a free and beginners tool for QSAR in Drug Designing. You can find the tutorial and download link here: http://easyqsar.blogspot.com/2009/09/easyqsar-beginners-tool-for-qsar-in.html

Try

ChemMaster1.1

https://crescent-silico.com/chemmaster/

and

https://vcclab.org/lab/pnn/

and

https://ochem.eu/home/show.do

Check out a list of several on-line tools here Article Open chemoinformatic resources to explore the structure, pro...

Here are some free online tools for quantitative structure-activity relationship (QSAR) study of lead compounds:

• QSAR Toolbox This is a user-friendly platform that provides a variety of tools for QSAR modeling, including descriptor generation, data curation, model building, and validation.
• ChemBench ChemBench is a comprehensive suite of tools for cheminformatics and QSAR modeling. It includes tools for data cleaning, descriptor generation, model building, and visualization.
• PaDEL-Descriptor This is a free and open-source software that calculates a wide range of molecular descriptors for QSAR studies. It can be used as a standalone tool or integrated with other software packages.
• VCCLab The Virtual Computational Chemistry Laboratory (VCCLab) is a collection of free online tools for cheminformatics and QSAR modeling. It includes tools for descriptor generation, fingerprint calculation, similarity searching, and model building.
• OBELINX OBELINX is a free web-based platform for cheminformatics and drug discovery. It includes tools for QSAR modeling, virtual screening, and ADME/Tox prediction.

QSARINS: free license by contact to [email protected], giving information on QSAR modeling background

www.qsar.it

Regards

Danish QSAR is a web-based tool for QSAR study of lead compound.

https://qsar.food.dtu.dk/

Also you can use to predict properties of lead compound using the VEGA QSAR software.

https://www.vegahub.eu/download/vega-qsar-download/

May be you will find some useful tools here:

https://biochemia.uwm.edu.pl/metachemibio/programs/

https://ochem.eu - many people use it and have contributed models using it. There is also opensource version: https://github.com/openochem