dim8

We have updated the state of the plug-in with the following: New name: QSAR Molecular Descriptors Calculator. The package name is now qsarmol. Formatted all Java files properly and removed the legacy non-Javadoc comments Made sure there is no null descriptor value that is passed to the ScaffoldHunter from the CDK through the plug-in. Removed the additional utility class, while refactored and reverted to built-in Java functionality. Updated the name of the descriptor HTML description file. About the...

Sync title and plug-in name

Merge request changes:

Merge request changes:

Thanks for the quick feedback! Why is the plugin named KonPlugin? The name is a portmanteau derived from Konstanz plus Plugin. It was thought as a small gesture to the university of the same name, where the plugin has been developed. Frankly, we are open to suggestions. A content-based derived modification from the title (Molecular Descriptors Calculator) of the plug-in, e.g. CDKMolPlugin might, however, be more suitable. Why are all the differnt descriptors calculated in a single plugin? Typically,...

New Calculation Plugin Implementation

Safety value & refactoring

PropertyType.NumericalFingerprint parsed as String