PCA results

A text file (.txt) containing the main results of Principal Component Analysis (PCA) can be generated by the options in the tab 'Save' of the window 'Principal Component Analysis'.

 

This file is organized as follows:

information about the block of molecular descriptors to which PCA was applied, including block name and index of multivariate correlation K;
list of eigenvalues, explained variance (EV%), and cumulative explained variance (Cum. EV%) for the most significant PCs;
loading coefficients for all the variables in the most significant PCs;
scores for the molecules in the most significant PCs.