[Cdk-qassurance] Project Proposal

[Egon W. <e.w...@sc...>]

Hi all,

below is a draft project start sheet for a QA project Matteo and I are (or 
want to) perform:

==========================================
Project Number: QA-xxxxx
Start Date: 2005-05-01
Concact: Egon Willighagen <eg...@us...>
Participants: Matteo Floris, Egon Willighagen
 
Project Goal:
To compare calculated descriptor values of CDK with commercial programs
like Dragon. This will be accomplished by plotting calculated values for 1000
compounds extracted from ZINC for two programs. If both programs
implement the descriptor correctly, these points are on the y=x line.
 
Tested CDK classes:
The classes in org.openscience.cdk.qsar that implement the Descriptor 
interface.
 
Estimated End Date: no date set
==========================================

The QA needs to be confirmed by QAL (QA team leader); Rajarshi? when 
confirmed, we will start adding scripts and possibly data to CVS.

Egon