Implementation of VEGA QSAR models into QSAR Toolbox

Implementation of VEGA QSAR models into  QSAR Toolbox
Current version:
1.0.0.0
Developer:
Category:
QSARs
Downloads:
22
Rating:
0
Description:
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.

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

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.


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