Tools for working with QsarDB archives. This includes command line applications for converting data between different formats, calculating descriptors using the CDK toolkit, predictions, etc. It also includes GUI application for curating chemical structures in QDB archives.
- Description: QSAR DataBank - an approach for the digital organization and archiving of QSAR model information, Ruusmann, V.; Sild, S.; Maran, J. Cheminf. 2014, 6:25, http://dx.doi.org/10.1186/1758-2946-6-25
- Website: http://qsardb.org/
Building requires Maven 3 and Java 1.6 or later.
Install the latest version of qsardb and qsardb-common dependencies and run:
mvn install
QsarDB libraries are also available from the Maven Central Repository.
New BSD License, see LICENSE.txt for details.