Analysis

The user can analyse descriptor values, basic statistics and descriptor pair and global correlations by interactive menus accessed by clicking 'Analysis' in the menu bar or the specific shortcuts in the tool bar: 'Statistics', 'Correlation', and 'PCA'. These menus become active only after having calculated molecular descriptors or loaded a Dragon project.

The menus for descriptor analysis are:

Univariate statistics
Correlation analysis
Principal Component Analysis

 

Note that:

if external variables have already been uploaded, they can be exploited in the analysis menus together with the calculated molecular descriptors;
when molecules are rejected for error in reading structure files, these will have missing code for all the calculated descriptors and, thus, they will not take part to the analysis.