Introduction

The QSAR feature turns Bioclipse into a fully-fledge workbench for Quantitative Structure-Activity Relationship (QSAR). It builds on the novel standard and exchange format QSAR-ML, and there are several implementations of descriptor providers, for example CDK (local, REST, XMPP) and JoeLib (local).

If you use Bioclipse-QSAR or QSAR-ML in your scientific projects, please cite:

   Towards interoperable and reproducible QSAR analyses: Exchange of data sets
   Ola Spjuth, Egon L Willighagen, Rajarshi Guha, Martin Eklund, Jarl ES Wikberg

   Journal of Cheminformatics 2010, 2:5 doi:10.1186/1758-2946-2-5

 

The development page for Bioclipse-QSAR on the Bioclipse Wiki holds information regarding its development.

Getting started

To get started, there is an introductory screencast available. Also see the Help system available from inside Bioclipse (menu: help > Help contents) holds documentation about the usage.

Pre-built releases

We have prepared a set of pre-built packages of Bioclipse-QSAR. Please see the development page for Bioclipse-QSAR on the Bioclipse Wiki.