So much to do, so little time

Trying to squeeze sense out of chemical data

Archive for the ‘graphviz’ tag

SALI Viewer Now on GitHub

without comments

Last year, John Van Drie and I published two papers (here and here) on the Structure Activity Landscape Index, (SALI) which is a way to view SAR data as a network of compounds. Along with the paper ,I put up a simple Java application (licensed under the LGPL) to generate and explore these networks. – you only need to provide a file containing SMILES and activities. It’s based on ZGRViewer – a very slick GUI for Graphviz generated networks. I finally got around to reorganizing the code and putting it up on a GitHub repository. You can get more details of the application and the last stable version here.

sali-ss

Written by Rajarshi Guha

January 16th, 2009 at 7:17 pm

Posted in cheminformatics,software

Tagged with , ,