View results

Clicking 'Results' under the menu 'View' in the menu bar or the shortcut 'View results' in the tool bar, the window 'Results' will be opened, which shows values of all the calculated molecular descriptors organized into a data table.




There are different ways to explore descriptor values more easily. One can search descriptors of interest by selecting the corresponding block and sub-block by the aid of the two combo boxes at the top of the window or go directly to a molecule of interest by input the corresponding ID number in the text box 'Goto molecule'.


In the window 'Results' only the numerical values of calculated descriptors and external variables, if any, are collected and displayed; short definitions of molecular descriptors are reported elsewhere in the menu 'Descriptor list'.


At the top of this window there are some shortcuts that allow direct access to the windows 'Structure viewer''Univariate Statistics''Correlation analysis', and 'Principal Component Analysis'Moreover, two shortcuts open the dialog window for exporting descriptors. One allows to export only the descriptors currently shown, whereas the other allows exporting all the calculated molecular descriptors and loaded variables, if any, regardless of the actual descriptor selection displayed.


Double clicking on the row of the molecule of interest, the structure view window opens directly allowing visual inspection of the selected molecular structure.


The molecules are reported in the data table in the same order as they were loaded and processed. They are indicated by a sequential number and the molecule identifier.