Q-edit - Structural Analogues

A list of structural analogues can be retrieved on the basis of some similarity index provided by the user. Under the tab "Applicability" find the tab "Structural Analogues" where one can provide a similarity threshold in the range 0.5 - 1.0 and click on the button "Acquire List" to get a list of compounds that are similar to the one submitted in the beginning. This is illustrated in the following screenshot where the analogues of sucrose (up to 95% similarity) are listed.

If a model is loaded, then one can download all experimental values for each one of the structural analogues. Finally, after the list of structural analogues is loaded and one of them is selected, one can inspect its structural information available by clicking on the button "Compound Info" which is found in the toolbar.