Calculation and export of descriptor PCs

If one desires to condense a number of molecular descriptors into a few principal components with the aim of data reduction, then, operations outlined in the following flow chart have to be carried out. The basic operations to calculate and export PCs of block and sub-blocks of molecular descriptors are:

1.	click the shortcut 'Molecules'  to load the molecular structure files of interest;

2.	click the shortcut 'Descriptors'  to select and calculate molecular descriptors;

3.	click the shortcut 'PCA'  to open the window for Principal Component Analysis;