Decision Support

Bioclipse decision-support (Bioclipse-DS) is a set of plugins for Bioclipse aimed at aiding scientists in primarily chemical liability assessment. Chemical liabilities, such as adverse effects and toxicity, have a major impact on today's drug discovery process, and in silico prediction of chemical liabilities is emerging as an increasingly important approach in many areas.


Key features

  • * Run multiple predictions simultaneously
  • * Click on results to highlight related substructures in the query molecule
  • * Combine models running locally and on remote servers
  • * Autu-run models upon editing chemical structure for instant predictions
  • * Run on collection of molecules, review in spreadsheet
  • * Produce graphical reports
  • There are also screenshots on Bioclipse-DS available.


1) Download and install Bioclipse. For more information about installation, see Getting started with Bioclipse.

2) From within Bioclipse, use the menu option Install > New Feature... and then select Bioclipse Decision Support.

3) From the top menu, choose Install > DS Model... and select the models you wish to download and install.


Users guide

The User guide for Bioclipse-DS is available from the Bioclipse workbench, under menu Help > Help contentsAlso, there is an introductory screencast available.


Citing Bioclipse-DS

If you use Bioclipse-DS in your research, please cite:


     Integrated decision support for assessing chemical liabilities

     O. Spjuth, M. Eklund, E. Ahlberg Helgee, S. Boyer, and L. Carlsson 

     J. Chem. Inf. Model. 2011, 51 (8), pp 1840–1847

     DOI: 10.1021/ci200242c