You can have a look at Alvascience solutions (https://www.alvascience.com/), a free version of alvaDesc for the calculation of molecular descriptors is available on OCHEM - Online Chemical Modeling Envinronment (https://ochem.eu/home/show.do).
You can have a look at Alvascience solutions (https://www.alvascience.com/), a free version of alvaDesc for the calculation of molecular descriptors is available on OCHEM - Online Chemical Modeling Envinronment (https://ochem.eu/home/show.do).
Hi Fakhr, Natalia has already mentioned some good ones! There is a software called KNIME (http://www.knime.org/). This platform is free to download and provides a workflow for the entire data process (from curating your data to modelling it). Its a good software and has a friendly user interface, additionally there are user guides on the website. Hope that helps! Danielle
Hi Fakhr, Natalia has already mentioned some good ones! There is a software called KNIME (http://www.knime.org/). This platform is free to download and provides a workflow for the entire data process (from curating your data to modelling it). Its a good software and has a friendly user interface, additionally there are user guides on the website. Hope that helps! Danielle
Weka,
McQSAR
Weka,
McQSAR
More
-1
way2drug
way2drug
More
-1
You can have a look at Alvascience solutions (https://www.alvascience.com/), a free version of alvaDesc for the calculation of molecular descriptors is available on OCHEM - Online Chemical Modeling Envinronment (https://ochem.eu/home/show.do).
You can have a look at Alvascience solutions (https://www.alvascience.com/), a free version of alvaDesc for the calculation of molecular descriptors is available on OCHEM - Online Chemical Modeling Envinronment (https://ochem.eu/home/show.do).
More
VOTE
We can generate the descriptors at www.vcclab.org/ . These descriptors can be treated even in excel or xlstat to generate the QSAR model !!!
We can generate the descriptors at www.vcclab.org/ . These descriptors can be treated even in excel or xlstat to generate the QSAR model !!!
More
VOTE
Hello
Check in these links. It might help you.
https://www.click2drug.org/
Good Luck.
Hello
Check in these links. It might help you.
https://www.click2drug.org/
Good Luck.
More
VOTE
We can generate thousands the descriptors at www.chemosophia.com now for free
We can generate thousands the descriptors at www.chemosophia.com now for free
More
VOTE
Hi. You can used DRAGON 7 from kode bioinformatics for your QSAR applications. They share the license version with you for 1 year.
Hi. You can used DRAGON 7 from kode bioinformatics for your QSAR applications. They share the license version with you for 1 year.
More
VOTE
There are in fact several free software for calculating descriptors such as
1. PaDEL
http://padel.nus.edu.sg/software/padeldescriptor/
2. Jcompoundmapper
http://jcompoundmapper.sourceforge.net/
Or if you use scripting language like Python, then I highly recommend
1. CDK and Rdkit from within Cinfony package
https://code.google.com/p/cinfony/
2. PyDPI
http://sourceforge.net/projects/pydpicao/
There are in fact several free software for calculating descriptors such as
1. PaDEL
http://padel.nus.edu.sg/software/padeldescriptor/
2. Jcompoundmapper
http://jcompoundmapper.sourceforge.net/
Or if you use scripting language like Python, then I highly recommend
1. CDK and Rdkit from within Cinfony package
https://code.google.com/p/cinfony/
2. PyDPI
http://sourceforge.net/projects/pydpicao/
More
VOTE
Weka is good open-source tool for QSAR studies.
Weka is good open-source tool for QSAR studies.
More
VOTE
Hi Fakhr,
Natalia has already mentioned some good ones! There is a software called KNIME (http://www.knime.org/). This platform is free to download and provides a workflow for the entire data process (from curating your data to modelling it). Its a good software and has a friendly user interface, additionally there are user guides on the website.
Hope that helps!
Danielle
Hi Fakhr,
Natalia has already mentioned some good ones! There is a software called KNIME (http://www.knime.org/). This platform is free to download and provides a workflow for the entire data process (from curating your data to modelling it). Its a good software and has a friendly user interface, additionally there are user guides on the website.
Hope that helps!
Danielle
More
VOTE