VEGA provides tens of QSAR models to predict toxicological, ecotoxicological, environmental, and physico-chemical properties of chemical substances.
With VEGA you can get a clear measurement of the reliability of the prediction, and also visualize the most similar compounds of your target substance, for read across assessment.
This plugin will make available most of the QSARs developed by Mario Negri Institute of Pharmacological Research (IRFMN) and implemented in Vega (version 1.1.5 BETA).
The plugin Has been developed by Cosimo Toma and the source code is public and can be consulted here.
In order to use the plugin you need to install the latest JDK libraries (x64) , and JAVA_HOME environment variable pointing to the jdk installation folder.
The application is released under the GNU GPL-3 license.
Vega uses the following libraries:
- Chemistry Development Kit (CDK) ver 1.4.9
- iText ver 2.1.4
- Weka ver 3.5.8
- HttpClient(Apache HttpComponents) ver 4.1.3
- jPMML ver 1.3.6
If you encounter any issue using the plugin please make an enquiry here
The plug-in developer is responsible for the correct functioning of the plug-in and its results. Before being made available via the repository, the plug-ins are checked for viruses, impact on stability of the QSAR Toolbox and documentation. For suggestions on improvement or bug fixing of the plug-in, please contact its developer directly.
*The Repository Client is part of QSAR Toolbox 4.4
You don't need to manually download this plugin unless you need to use it on an offline computer.